General Information of the Compound
| Compound ID |
CP0524276
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| Compound Name |
US8835444, 4.2
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| Formula |
C26H25ClF3N3O3
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| Molecular Weight |
519.951
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| Canonical SMILES |
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25ClF3N3O3/c1-15-10-22(17-4-9-23-24(11-17)36-14-35-23)32-33(15)13-16-2-6-19(7-3-16)31-25(34)20-12-18(26(28,29)30)5-8-21(20)27/h4-5,8-12,16,19H,2-3,6-7,13-14H2,1H3,(H,31,34)/t16-,19-
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| InChIKey |
ZXYCVPWDDSAHKJ-RUCARUNLSA-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