9852041
  -OEChem-04192410472D

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    9.9889    5.8495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7494    4.1297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   10.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   11.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671    5.6435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4582    2.1098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6720    2.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    3.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
9852041

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
978

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WLECAAAAAACB/AAAHgAAAAAADAzhnwY/npcIFACoAzf3fASCiCk1IqAJ2CG+7NiPL/7E/fuPPerv5hfa6WeY+fyOoAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 2-[(2-methyl-4-pyridyl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride

> <PUBCHEM_IUPAC_NAME>
methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxidanylidene-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-keto-2-[(2-methyl-4-pyridyl)methyl]-8-(2-pyrimidylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H29N5O7.ClH/c1-18-13-19(7-11-32-18)16-36-27(31(38)42-5)25(20-14-22(39-2)28(41-4)23(15-20)40-3)21-8-12-35-29(26(21)30(36)37)43-17-24-33-9-6-10-34-24;/h6-15H,16-17H2,1-5H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
RBJCBXAXUHCWBR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
619.1833760

> <PUBCHEM_MOLECULAR_FORMULA>
C31H30ClN5O7

> <PUBCHEM_MOLECULAR_WEIGHT>
620.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=CC(=C1)CN2C(=C(C3=C(C2=O)C(=NC=C3)OCC4=NC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=CC(=C1)CN2C(=C(C3=C(C2=O)C(=NC=C3)OCC4=NC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
619.1833760

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
44

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  23  8
10  27  8
11  33  8
11  34  8
12  38  8
12  42  8
13  38  8
13  43  8
14  15  8
14  16  8
16  17  8
16  22  8
17  19  8
17  23  8
20  24  8
20  25  8
21  31  8
21  32  8
22  27  8
24  29  8
25  28  8
28  30  8
29  30  8
31  33  8
32  34  8
42  44  8
43  44  8
9  15  8
9  19  8

$$$$