General Information of the Compound
| Compound ID |
CP0495064
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| Compound Name |
(3-Amino-phenyl)-[4-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone
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| Structure |
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| Formula |
C24H29Cl2N3O
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| Molecular Weight |
446.422
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| Canonical SMILES |
Nc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C24H29Cl2N3O/c25-22-5-4-18(15-23(22)26)14-17-6-10-28(11-7-17)21-8-12-29(13-9-21)24(30)19-2-1-3-20(27)16-19/h1-5,15-17,21H,6-14,27H2
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| InChIKey |
VTSQOKIAZAEEBJ-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