General Information of the Compound
| Compound ID |
CP0462669
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| Compound Name |
1-(2-{[(2S)-2-aminopropanamido]methyl}-1-benzofuran-7-yl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C25H24F3N5O4
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| Molecular Weight |
515.492
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc2cc(CNC(=O)[C@H](C)N)oc12)C(F)(F)F
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| InChI |
InChI=1S/C25H24F3N5O4/c1-14(29)23(34)31-13-17-10-15-7-5-8-18(22(15)37-17)33-19(11-21(32-33)25(26,27)28)24(35)30-12-16-6-3-4-9-20(16)36-2/h3-11,14H,12-13,29H2,1-2H3,(H,30,35)(H,31,34)/t14-/m0/s1
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| InChIKey |
PVFDWCOBVPZKGI-AWEZNQCLSA-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