59026353
  -OEChem-04252402272D

 68 73  0     0  0  0  0  0  0999 V2000
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M  END
> <PUBCHEM_COMPOUND_CID>
59026353

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
705

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFix/gAAHgAIAAAADQzhngY+xvMIBACiAzRnRACSDCAhsgAYmCA+/JgNZuLE8duWvCrmyBnK6Aew0LMOIEABAgQCQABAgAIECASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[4-[4-(cyclopropylmethyl)piperazin-1-yl]indazol-1-yl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-[4-[4-(cyclopropylmethyl)-1-piperazinyl]-1-indazolyl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[4-[4-(cyclopropylmethyl)piperazin-1-yl]indazol-1-yl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_NAME>
4-[4-[4-(cyclopropylmethyl)piperazin-1-yl]indazol-1-yl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[4-[4-(cyclopropylmethyl)piperazin-1-yl]indazol-1-yl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[4-[4-(cyclopropylmethyl)piperazino]indazol-1-yl]-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H32N6O3/c1-34-12-13-36-27-14-20-22(15-26(27)35-2)30-28-17-25(20)33-24-5-3-4-23(21(24)16-29-33)32-10-8-31(9-11-32)18-19-6-7-19/h3-5,14-17,19H,6-13,18H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MBJBPHOGIBIAHU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
488.25358890

> <PUBCHEM_MOLECULAR_FORMULA>
C27H32N6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
488.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCN(CC5)CC6CC6)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCN(CC5)CC6CC6)OC

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
488.25358890

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  19  8
18  20  8
19  21  8
19  22  8
20  23  8
21  24  8
23  24  8
25  26  8
25  27  8
26  28  8
26  29  8
28  31  8
29  30  8
30  32  8
31  32  8
6  21  8
6  7  8
7  22  8
8  27  8
8  9  8
9  28  8

$$$$