General Information of the Compound
| Compound ID |
CP0373415
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| Compound Name |
1-[4-(4-fluoroanilino)piperidin-1-yl]-3-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]propan-1-one
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| Structure |
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| Formula |
C26H35FN4O
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| Molecular Weight |
438.591
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(CC3)Nc3ccc(F)cc3)cc2)CCN1
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| InChI |
InChI=1S/C26H35FN4O/c1-20-18-30(17-14-28-20)19-22-4-2-21(3-5-22)6-11-26(32)31-15-12-25(13-16-31)29-24-9-7-23(27)8-10-24/h2-5,7-10,20,25,28-29H,6,11-19H2,1H3/t20-/m0/s1
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| InChIKey |
JQZZNHXEISJTIM-FQEVSTJZSA-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