General Information of the Compound
| Compound ID |
CP0218350
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| Compound Name |
5-[2-[4-(3-methylindol-1-yl)butylcarbamoyl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C33H39N5O2
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| Molecular Weight |
537.708
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| Canonical SMILES |
Cc1cn(CCCCNC(=O)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C33H39N5O2/c1-25-24-38(31-14-5-4-11-28(25)31)20-7-6-15-36-33(40)30-13-3-2-12-29(30)26-21-27(23-34-22-26)32(39)35-16-10-19-37-17-8-9-18-37/h2-5,11-14,21-24H,6-10,15-20H2,1H3,(H,35,39)(H,36,40)
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| InChIKey |
GPQLUDWJYWOBIC-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