General Information of the Compound
| Compound ID |
CP0446000
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| Compound Name |
CHEMBL3932186
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| Formula |
C24H29ClN4O2S
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| Molecular Weight |
473.042
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| Canonical SMILES |
Clc1ccc2c(nsc2c1)N1CCN(C[C@H]2CC[C@H](CNC(=O)c3ccco3)CC2)CC1
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| InChI |
InChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30)/t17-,18-
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| InChIKey |
OUJINBWEZGZUKQ-IYARVYRRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor