General Information of the Compound
| Compound ID |
CP0439063
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| Compound Name |
N-[(1S)-3-[4-[4-[acetyl(propan-2-yl)amino]phenyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]propyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C32H43F3N4O2
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| Molecular Weight |
572.716
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| Canonical SMILES |
CC(C)N(C(C)=O)c1ccc(cc1)N1CCN(CC[C@H](NC(=O)C2CCCCC2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H43F3N4O2/c1-23(2)39(24(3)40)29-15-13-28(14-16-29)38-21-19-37(20-22-38)18-17-30(36-31(41)26-7-5-4-6-8-26)25-9-11-27(12-10-25)32(33,34)35/h9-16,23,26,30H,4-8,17-22H2,1-3H3,(H,36,41)/t30-/m0/s1
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| InChIKey |
NBGUQDBBLYVDDA-PMERELPUSA-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