General Information of the Compound
| Compound ID |
CP0498412
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| Compound Name |
methyl 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 |
C23H20F3N5O4
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| Molecular Weight |
487.438
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| Canonical SMILES |
COC(=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/C23H20F3N5O4/c1-22(34,20(32)29-18-8-5-15(10-27)19(9-18)23(24,25)26)13-31-12-16(11-28-31)14-3-6-17(7-4-14)30-21(33)35-2/h3-9,11-12,34H,13H2,1-2H3,(H,29,32)(H,30,33)/t22-/m0/s1
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| InChIKey |
YXEJFDURWZZNCJ-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