General Information of the Compound
| Compound ID |
CP0479923
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| Compound Name |
(S)-1-(3-(5-(1-aminoethyl)-1H-1,2,4-triazol-3-yl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H22F3N7O2
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| Molecular Weight |
485.47
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(c1)-c1nnc([nH]1)[C@H](C)N)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O2/c1-13(27)20-29-21(31-30-20)14-7-5-8-16(10-14)33-17(11-19(32-33)23(24,25)26)22(34)28-12-15-6-3-4-9-18(15)35-2/h3-11,13H,12,27H2,1-2H3,(H,28,34)(H,29,30,31)/t13-/m0/s1
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| InChIKey |
DKXCCLFELAQACW-ZDUSSCGKSA-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