General Information of the Compound
| Compound ID |
CP0483000
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| Compound Name |
US9163011, 3
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| Structure |
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| Formula |
C19H16ClF3N6O2
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| Molecular Weight |
452.824
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| Canonical SMILES |
CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F
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| InChI |
InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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| InChIKey |
VZKPBWICQCZMIB-GOSISDBHSA-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