General Information of the Compound
| Compound ID |
CP0357901
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[2-[5-(3-pyrrolidin-1-ylpropylcarbamoyl)pyridin-3-yl]phenyl]piperazine-1-carboxamide
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| Formula |
C30H34Cl2N6O2
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| Molecular Weight |
581.548
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C30H34Cl2N6O2/c31-26-9-8-24(19-27(26)32)35-30(40)38-16-14-37(15-17-38)28-7-2-1-6-25(28)22-18-23(21-33-20-22)29(39)34-10-5-13-36-11-3-4-12-36/h1-2,6-9,18-21H,3-5,10-17H2,(H,34,39)(H,35,40)
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| InChIKey |
MYAMUWYRJVEQJR-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