General Information of the Compound
| Compound ID |
CP0240644
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| Compound Name |
5-[2-[1-[2-(3,4-dichlorophenyl)acetyl]piperidin-4-yl]oxyphenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C32H36Cl2N4O3
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| Molecular Weight |
595.571
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| Canonical SMILES |
Clc1ccc(CC(=O)N2CCC(CC2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C32H36Cl2N4O3/c33-28-9-8-23(18-29(28)34)19-31(39)38-16-10-26(11-17-38)41-30-7-2-1-6-27(30)24-20-25(22-35-21-24)32(40)36-12-5-15-37-13-3-4-14-37/h1-2,6-9,18,20-22,26H,3-5,10-17,19H2,(H,36,40)
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| InChIKey |
OJAOTIBSXDOPDZ-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