General Information of the Compound
| Compound ID |
CP0466909
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| Compound Name |
CHEMBL78617
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| Formula |
C24H35Cl2N3O
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| Molecular Weight |
452.47
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| Canonical SMILES |
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)CC2)c1Cl
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| InChI |
InChI=1S/C24H35Cl2N3O/c25-21-6-3-7-22(23(21)26)29-16-14-28(15-17-29)13-12-18-8-10-20(11-9-18)27-24(30)19-4-1-2-5-19/h3,6-7,18-20H,1-2,4-5,8-17H2,(H,27,30)/t18-,20-
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| InChIKey |
HRQSRFLNKXUFRB-KESTWPANSA-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