General Information of the Compound
| Compound ID |
CP0397990
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| Compound Name |
CHEMBL78950
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| Formula |
C24H33N3O2S
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| Molecular Weight |
427.614
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| Canonical SMILES |
COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1
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| InChI |
InChI=1S/C24H33N3O2S/c1-29-22-6-3-2-5-21(22)27-16-14-26(15-17-27)13-12-19-8-10-20(11-9-19)25-24(28)23-7-4-18-30-23/h2-7,18-20H,8-17H2,1H3,(H,25,28)/t19-,20-
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| InChIKey |
LZEJCTIJSMQOTB-MXVIHJGJSA-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