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6.1105
10.8803
4.6215
2.4067
5.5714
11.2375
12.8373
7.5887
6.2038
11.2375
11.8211
10.2913
10.2913
9.4252
9.4252
11.5481
8.5592
8.5592
12.5267
7.6932
6.7796
13.8158
12.1695
6.6105
5.2092
4.8025
5.3903
3.808
3.4013
4.9836
3.989
2
5.1646
10.9865
11.7749
12.282
12.282
9.4252
9.4252
8.0223
12.5472
13.1405
6.6507
13.9437
12.6309
11.7554
11.708
14.4225
13.688
6.5682
6.0069
3.4436
3.7369
1.4336
1.7478
2.5664
4.5982
4.9124
5.731
0.625
4.461
-0.45
-3.2952
-4.7042
2.7662
4.8734
-0.0331
-1.1545
1.1567
1.9614
1.4614
2.4614
0.9614
2.9614
3.7167
1.4614
2.4614
3.9229
0.9614
1.3682
5.0796
5.6177
-0.241
-1.2591
-2.1726
-2.9816
-2.2771
-3.1907
-3.8952
-3.9997
-4.2088
-5.6177
0.5898
0.8475
1.5467
2.3762
0.3414
3.5814
2.7714
3.3032
3.8356
1.9746
4.473
6.0318
6.0792
5.2037
5.2075
5.6863
-1.6561
-2.9168
-1.7756
-4.5661
-3.9566
-4.7752
-4.4609
-5.3656
-6.1841
-5.8699
8
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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
683
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
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
00000371E07BB800400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CC5DE06B3D793C81408AC032572740082F8A9652A39098835BE6CD88C67B2E4BDBB9431286DC717C8E9A7BAE8DC8E08000308000200001000061000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-[1-[2-(dimethylamino)acetyl]indolin-5-yl]thiazol-2-yl]-3,5-dimethoxy-benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-[1-[2-(dimethylamino)-1-oxoethyl]-2,3-dihydroindol-5-yl]-2-thiazolyl]-3,5-dimethoxybenzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-[1-[2-(dimethylamino)acetyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-[1-[2-(dimethylamino)ethanoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-[1-[2-(dimethylamino)acetyl]indolin-5-yl]thiazol-2-yl]-3,5-dimethoxy-benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C24H26N4O4S/c1-27(2)13-22(29)28-8-7-16-9-15(5-6-21(16)28)20-14-33-24(25-20)26-23(30)17-10-18(31-3)12-19(11-17)32-4/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,26,30)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
JQRXLIRPLIXWTM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
466.167476
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C24H26N4O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
466.55264
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)CC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)CC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
112
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
466.167476
33
0
0
0
0
0
0
0
1
3