General Information of the Compound
| Compound ID |
CP0899698
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| Compound Name |
1-(2-(((S)-2-aminopropanamido)methyl)isoindolin-4-yl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C25H27F3N6O3
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| Molecular Weight |
516.524
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc2c1CN(CNC(=O)[C@H](C)N)C2
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| InChI |
InChI=1S/C25H27F3N6O3/c1-15(29)23(35)31-14-33-12-17-7-5-8-19(18(17)13-33)34-20(10-22(32-34)25(26,27)28)24(36)30-11-16-6-3-4-9-21(16)37-2/h3-10,15H,11-14,29H2,1-2H3,(H,30,36)(H,31,35)/t15-/m0/s1
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| InChIKey |
KDOOOBMZRDBBAG-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