General Information of the Compound
| Compound ID |
CP0813853
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| Compound Name |
US9266835, 47
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| Structure |
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| Formula |
C24H20ClF3N4O3S2
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| Molecular Weight |
569.03
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| Canonical SMILES |
O=c1cc(N[C@@H]2CCN(S(=O)(=O)C(F)(F)F)C2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C24H20ClF3N4O3S2/c25-16-4-1-14(2-5-16)22(23-29-8-10-36-23)15-3-6-19-18(11-15)20(12-21(33)31-19)30-17-7-9-32(13-17)37(34,35)24(26,27)28/h1-6,8,10-12,17,22H,7,9,13H2,(H2,30,31,33)/t17-,22?/m1/s1
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| InChIKey |
KWNLQHPAAMOAJZ-PLEWWHCXSA-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