General Information of the Compound
| Compound ID |
CP0463460
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| Compound Name |
CHEMBL3084620
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| Formula |
C30H37ClN2O3S
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| Molecular Weight |
541.157
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| Canonical SMILES |
Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ccccc34)CCc2c1
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| InChI |
InChI=1S/C30H36N2O3S.ClH/c1-36(34,35)27-14-11-23-16-19-32(20-17-25(23)21-27)18-15-22-9-12-26(13-10-22)31-30(33)29-8-4-6-24-5-2-3-7-28(24)29;/h2-8,11,14,21-22,26H,9-10,12-13,15-20H2,1H3,(H,31,33);1H/t22-,26-;
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| InChIKey |
CHRAWRBSKXRZMD-WYCGAILPSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor