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6.1105
10.8803
5.5714
2.4067
11.2375
7.5887
6.2038
11.2375
11.8211
10.2913
10.2913
9.4252
9.4252
8.5592
11.5481
8.5592
12.5267
7.6932
12.8373
6.7796
6.6105
5.2092
4.8025
3.808
5.3903
4.9836
3.4013
3.989
5.1646
2
10.9865
11.7749
12.282
12.282
9.4252
9.4252
8.0223
12.5472
13.1405
13.4266
13.0299
12.248
6.6507
5.2525
4.6077
6.5682
3.4436
6.0069
3.7369
4.5982
4.9124
5.731
1.4336
1.7478
2.5664
0.9972
4.8332
-4.332
-2.9231
3.1383
0.3391
-0.7824
1.5289
2.3336
1.8336
2.8336
1.3336
3.3336
1.8336
4.0888
2.8336
4.2951
1.3336
5.2456
1.7403
0.1312
-0.8869
-1.8005
-1.905
-2.6095
-3.523
-2.8185
-3.6276
-5.2456
-3.8366
0.962
1.2196
1.9189
2.7483
0.7136
3.9536
3.1436
3.6754
4.2077
5.053
5.8349
5.4382
2.3468
-0.2684
-0.7369
-1.284
-1.4034
-2.5447
-4.194
-4.9934
-5.812
-5.4978
-3.5844
-4.403
-4.0888
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
6
6
10
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13
14
18
23
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27
20
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
568
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B3000400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CC5DE06B3D793C81408AC032572740082F8A9612A390988B53E6C988C27A2E4B99B8430286DC617C8E827B0E0DC0E08000308000200001000061000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[5-[2-[(3,5-dimethoxyphenyl)methylamino]thiazol-4-yl]indolin-1-yl]propan-1-one
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[5-[2-[(3,5-dimethoxyphenyl)methylamino]-4-thiazolyl]-2,3-dihydroindol-1-yl]-1-propanone
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[5-[2-[(3,5-dimethoxyphenyl)methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]propan-1-one
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[5-[2-[(3,5-dimethoxyphenyl)methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]propan-1-one
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[5-[2-[(3,5-dimethoxybenzyl)amino]thiazol-4-yl]indolin-1-yl]propan-1-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H25N3O3S/c1-4-22(27)26-8-7-17-11-16(5-6-21(17)26)20-14-30-23(25-20)24-13-15-9-18(28-2)12-19(10-15)29-3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,24,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
JVRVXVSJFKRKNT-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
423.161663
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C23H25N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
423.5279
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NCC4=CC(=CC(=C4)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NCC4=CC(=CC(=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
91.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
423.161663
30
0
0
0
0
0
0
0
1
2