General Information of the Compound
| Compound ID |
CP0460916
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| Compound Name |
1-[4-Benzoyl-2-(3,4-dichloro-phenyl)-piperazin-1-yl]-2-(1-benzyl-piperidin-4-ylamino)-ethanone
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| Structure |
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| Formula |
C31H34Cl2N4O2
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| Molecular Weight |
565.545
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C31H34Cl2N4O2/c32-27-12-11-25(19-28(27)33)29-22-36(31(39)24-9-5-2-6-10-24)17-18-37(29)30(38)20-34-26-13-15-35(16-14-26)21-23-7-3-1-4-8-23/h1-12,19,26,29,34H,13-18,20-22H2
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| InChIKey |
YYLWLQSLLOQPBL-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor