General Information of the Compound
| Compound ID |
CP0513053
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methyl-1-(4-(trifluoromethyl)phenyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C33H35F4N3O2
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| Molecular Weight |
581.654
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C33H35F4N3O2/c1-23(41)38-31(25-6-4-3-5-7-25)16-18-40(19-17-31)22-28-20-32(28,26-10-12-27(13-11-26)33(35,36)37)30(42)39(2)21-24-8-14-29(34)15-9-24/h3-15,28H,16-22H2,1-2H3,(H,38,41)/t28-,32+/m0/s1
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| InChIKey |
PMCMZVCDFBQLGH-GMCHKSTQSA-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