General Information of the Compound
| Compound ID |
CP0500843
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| Compound Name |
2-(3,4-difluorophenoxy)-N-((1s,4s)-4-(1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-ylamino)cyclohexyl)acetamide
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| Formula |
C25H24F5N3O2
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| Molecular Weight |
493.476
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| Canonical SMILES |
Fc1ccc(OCC(=O)N[C@H]2CC[C@H](CC2)Nc2ccn(c2)-c2ccc(cc2)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C25H24F5N3O2/c26-22-10-9-21(13-23(22)27)35-15-24(34)32-18-5-3-17(4-6-18)31-19-11-12-33(14-19)20-7-1-16(2-8-20)25(28,29)30/h1-2,7-14,17-18,31H,3-6,15H2,(H,32,34)/t17-,18+
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| InChIKey |
IMLJSXYNDXYBTJ-HDICACEKSA-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