General Information of the Compound
| Compound ID |
CP0858731
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| Compound Name |
(S)-N-((6-fluoro-3'-((3-methylpiperazin-1-yl)methyl)biphenyl-3-yl)methyl)-3-(piperidin-1-ylmethyl)benzamide
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| Structure |
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| Formula |
C32H39FN4O
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| Molecular Weight |
514.689
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCCCC5)c4)ccc3F)c2)CCN1
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| InChI |
InChI=1S/C32H39FN4O/c1-24-21-37(16-13-34-24)23-26-7-5-9-28(17-26)30-19-25(11-12-31(30)33)20-35-32(38)29-10-6-8-27(18-29)22-36-14-3-2-4-15-36/h5-12,17-19,24,34H,2-4,13-16,20-23H2,1H3,(H,35,38)/t24-/m0/s1
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| InChIKey |
TVVVKJSBUJENQR-DEOSSOPVSA-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