General Information of the Compound
| Compound ID |
CP0463803
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| Compound Name |
3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C27H37FN4O
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| Molecular Weight |
452.618
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(CC3)Nc3ccc(F)cc3)cc2)C[C@@H](C)N1
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| InChI |
InChI=1S/C27H37FN4O/c1-20-17-31(18-21(2)29-20)19-23-5-3-22(4-6-23)7-12-27(33)32-15-13-26(14-16-32)30-25-10-8-24(28)9-11-25/h3-6,8-11,20-21,26,29-30H,7,12-19H2,1-2H3/t20-,21+
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| InChIKey |
WYRVEQKOBORSQY-OYRHEFFESA-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