General Information of the Compound
| Compound ID |
CP0122103
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| Compound Name |
CHEMBL3714822
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| Formula |
C22H26F3N5O
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| Molecular Weight |
433.478
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| Canonical SMILES |
Nc1ncc(cc1C(F)(F)F)-c1cc([C@@H]2[C@H]3CN(C[C@@H]23)C2COC2)n(CC2CCC2)n1
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| InChI |
InChI=1S/C22H26F3N5O/c23-22(24,25)17-4-13(6-27-21(17)26)18-5-19(30(28-18)7-12-2-1-3-12)20-15-8-29(9-16(15)20)14-10-31-11-14/h4-6,12,14-16,20H,1-3,7-11H2,(H2,26,27)/t15-,16+,20+
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| InChIKey |
DTRNQYSHNFBFTA-IGOJGBNBSA-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