General Information of the Compound
| Compound ID |
CP0357899
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| Compound Name |
5-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C30H33Cl2N5O2
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| Molecular Weight |
566.533
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
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| InChI |
InChI=1S/C30H33Cl2N5O2/c31-26-9-8-22(19-27(26)32)30(39)37-16-14-36(15-17-37)28-7-2-1-6-25(28)23-18-24(21-33-20-23)29(38)34-10-5-13-35-11-3-4-12-35/h1-2,6-9,18-21H,3-5,10-17H2,(H,34,38)
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| InChIKey |
RLXZDTAKQQZSEM-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