General Information of the Compound
| Compound ID |
CP0502097
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| Compound Name |
1-(6-{[(2S)-2-aminopropanamido]methyl}pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C22H23F3N6O3
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| Molecular Weight |
476.459
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)n1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N6O3/c1-13(26)20(32)28-12-15-7-5-9-19(29-15)31-16(10-18(30-31)22(23,24)25)21(33)27-11-14-6-3-4-8-17(14)34-2/h3-10,13H,11-12,26H2,1-2H3,(H,27,33)(H,28,32)/t13-/m0/s1
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| InChIKey |
JOWAHYCRARBVIO-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