General Information of the Compound
| Compound ID |
CP0967426
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| Compound Name |
5-[2-[4-[2-amino-3-(1H-indol-3-yl)propanoyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C34H41N7O2
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| Molecular Weight |
579.749
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| Canonical SMILES |
NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)CC1
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| InChI |
InChI=1S/C34H41N7O2/c35-30(21-26-24-38-31-10-3-1-8-28(26)31)34(43)41-18-16-40(17-19-41)32-11-4-2-9-29(32)25-20-27(23-36-22-25)33(42)37-12-7-15-39-13-5-6-14-39/h1-4,8-11,20,22-24,30,38H,5-7,12-19,21,35H2,(H,37,42)
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| InChIKey |
CNWGYVPKCHOGKT-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