General Information of the Compound
| Compound ID |
CP0558319
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| Compound Name |
3-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C32H38Cl2N4O
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| Molecular Weight |
565.589
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| Canonical SMILES |
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C32H38Cl2N4O/c33-29-12-11-25(23-30(29)34)13-18-37-19-21-38(22-20-37)31-10-2-1-9-28(31)26-7-5-8-27(24-26)32(39)35-14-6-17-36-15-3-4-16-36/h1-2,5,7-12,23-24H,3-4,6,13-22H2,(H,35,39)
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| InChIKey |
LUFJXLBJGLJMFZ-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