General Information of the Compound
| Compound ID |
CP0571216
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H37F3N6O2
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| Molecular Weight |
570.66
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| Canonical SMILES |
Cc1cc(C)n(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(n2)C2CCCC2)n1
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| InChI |
InChI=1S/C30H37F3N6O2/c1-19-16-20(2)38(36-19)15-14-22(17-28(40)34-21-8-7-9-21)35-29(41)26-18-27(39(37-26)23-10-3-4-11-23)24-12-5-6-13-25(24)30(31,32)33/h5-6,12-13,16,18,21-23H,3-4,7-11,14-15,17H2,1-2H3,(H,34,40)(H,35,41)/t22-/m0/s1
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| InChIKey |
MAUOCTHVSIIULV-QFIPXVFZSA-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