General Information of the Compound
| Compound ID |
CP0498198
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| Compound Name |
N-[1-[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]benzoyl]piperidin-4-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C32H37FN4O2
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| Molecular Weight |
528.672
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)NC(=O)c2ccc(F)cc2)C[C@@H](C)N1
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| InChI |
InChI=1S/C32H37FN4O2/c1-22-19-36(20-23(2)34-22)21-24-7-9-25(10-8-24)29-5-3-4-6-30(29)32(39)37-17-15-28(16-18-37)35-31(38)26-11-13-27(33)14-12-26/h3-14,22-23,28,34H,15-21H2,1-2H3,(H,35,38)/t22-,23+
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| InChIKey |
MWUCVKDLGAYKNO-ZRZAMGCNSA-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