General Information of the Compound
| Compound ID |
CP0508033
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| Compound Name |
(S)-N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}-3-hydroxypropyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H23F3N4O4
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| Molecular Weight |
476.455
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)N[C@H](CO)CNC(=O)c1cn(nc1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C23H23F3N4O4/c1-2-34-18-10-8-15(9-11-18)21(32)28-16(14-31)12-27-22(33)19-13-30(17-6-4-3-5-7-17)29-20(19)23(24,25)26/h3-11,13,16,31H,2,12,14H2,1H3,(H,27,33)(H,28,32)/t16-/m0/s1
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| InChIKey |
AHZBLWURQMZRCN-INIZCTEOSA-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