General Information of the Compound
| Compound ID |
CP0500987
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| Compound Name |
N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C32H35F4N3O2
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| Molecular Weight |
569.643
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| Canonical SMILES |
CC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F
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| InChI |
InChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40)
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| InChIKey |
PHZFASCDZWDOQJ-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