General Information of the Compound
| Compound ID |
CP0717118
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| Compound Name |
6-cyano-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H25Cl2N5O
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| Molecular Weight |
470.404
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| Canonical SMILES |
N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1
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| InChI |
InChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-7-6-17(16-27)14-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)
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| InChIKey |
AUBVMUJWPOHAEW-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor