General Information of the Compound
| Compound ID |
CP0244662
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| Compound Name |
tert-butyl N-[4-[1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]phenyl]carbamate
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| Formula |
C26H26F3N5O4
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| Molecular Weight |
529.519
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C26H26F3N5O4/c1-24(2,3)38-23(36)33-19-8-5-16(6-9-19)18-13-31-34(14-18)15-25(4,37)22(35)32-20-10-7-17(12-30)21(11-20)26(27,28)29/h5-11,13-14,37H,15H2,1-4H3,(H,32,35)(H,33,36)/t25-/m0/s1
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| InChIKey |
UGHKAGADCYVQFE-VWLOTQADSA-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