General Information of the Compound
| Compound ID |
CP0116207
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| Compound Name |
CHEMBL3717769
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| Formula |
C19H22F5N5
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| Molecular Weight |
415.41
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| Canonical SMILES |
CC(C)n1nc(cc1[C@@H]1[C@H]2CN(CC(F)F)C[C@@H]12)-c1cnc(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H22F5N5/c1-9(2)29-15(17-11-6-28(7-12(11)17)8-16(20)21)4-14(27-29)10-3-13(19(22,23)24)18(25)26-5-10/h3-5,9,11-12,16-17H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,17+
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| InChIKey |
YSCUDZSKNZANRD-PBKGOJFUSA-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
Protein ID: PT02542, Mitogen-activated protein kinase kinase kinase 12