General Information of the Compound
| Compound ID |
CP0492998
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| Compound Name |
US9481682, 192
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| Structure |
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| Formula |
C26H22Cl2F4N8O2
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| Molecular Weight |
625.414
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| Canonical SMILES |
Cn1nc(NC(=O)c2cc(Cl)c(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F
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| InChI |
InChI=1S/C26H22Cl2F4N8O2/c1-38-17(26(30,31)32)8-19(37-38)35-25(42)14-6-15(27)13(7-16(14)29)21-22-23(33)34-9-18(28)40(22)24(36-21)11-2-3-12-4-5-20(41)39(12)10-11/h6-9,11-12H,2-5,10H2,1H3,(H2,33,34)(H,35,37,42)/t11-,12+/m1/s1
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| InChIKey |
UZUSVHIYEZATFQ-NEPJUHHUSA-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