General Information of the Compound
| Compound ID |
CP0463716
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| Compound Name |
(S)-1-(3-(2-(2-aminopropanamido)ethyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C24H26F3N5O3
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| Molecular Weight |
489.498
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CCNC(=O)[C@H](C)N)c1)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N5O3/c1-15(28)22(33)29-11-10-16-6-5-8-18(12-16)32-19(13-21(31-32)24(25,26)27)23(34)30-14-17-7-3-4-9-20(17)35-2/h3-9,12-13,15H,10-11,14,28H2,1-2H3,(H,29,33)(H,30,34)/t15-/m0/s1
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| InChIKey |
NXOYIDFSZJPVDI-HNNXBMFYSA-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