General Information of the Compound
| Compound ID |
CP0546508
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| Compound Name |
1-cyclopentyl-N-[(3S)-5-(3,3-difluoropiperidin-1-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)pentan-3-yl]-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H32F5N9O2
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| Molecular Weight |
609.604
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC(F)(F)C1)CC(=O)Nc1nnn[nH]1
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| InChI |
InChI=1S/C27H32F5N9O2/c28-26(29)11-5-12-40(16-26)13-10-17(14-23(42)34-25-35-38-39-36-25)33-24(43)21-15-22(41(37-21)18-6-1-2-7-18)19-8-3-4-9-20(19)27(30,31)32/h3-4,8-9,15,17-18H,1-2,5-7,10-14,16H2,(H,33,43)(H2,34,35,36,38,39,42)/t17-/m0/s1
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| InChIKey |
YCKUNACEAHBTMG-KRWDZBQOSA-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