General Information of the Compound
| Compound ID |
CP0542645
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| Compound Name |
US8835444, 4.1
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| Formula |
C26H27ClF3N3O2
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| Molecular Weight |
505.968
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C26H27ClF3N3O2/c1-16-13-24(18-5-10-21(35-2)11-6-18)32-33(16)15-17-3-8-20(9-4-17)31-25(34)22-14-19(26(28,29)30)7-12-23(22)27/h5-7,10-14,17,20H,3-4,8-9,15H2,1-2H3,(H,31,34)/t17-,20-
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| InChIKey |
SUUSNFSQMHCMDE-IRJFHVNHSA-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