General Information of the Compound
| Compound ID |
CP0402487
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| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(1H-imidazol-5-yl)acetamide
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| Structure |
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| Formula |
C26H22F6N4O2
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| Molecular Weight |
536.476
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| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cnc[nH]2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F6N4O2/c27-25(28,29)17-7-15(8-18(10-17)26(30,31)32)5-6-23(37)22(36-24(38)11-19-13-33-14-35-19)9-16-12-34-21-4-2-1-3-20(16)21/h1-4,7-8,10,12-14,22,34H,5-6,9,11H2,(H,33,35)(H,36,38)/t22-/m0/s1
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| InChIKey |
SRUVIRMFXGIZDE-QFIPXVFZSA-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