General Information of the Compound
| Compound ID |
CP0152875
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| Compound Name |
(1S,2S,3R,4R)-N-methyl-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C18H20F3N7O
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| Molecular Weight |
407.4
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| Canonical SMILES |
CNC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N7O/c1-22-16(29)13-9-3-4-10(5-9)14(13)26-15-12(18(19,20)21)7-23-17(27-15)25-11-6-24-28(2)8-11/h3-4,6-10,13-14H,5H2,1-2H3,(H,22,29)(H2,23,25,26,27)/t9-,10+,13+,14-/m1/s1
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| InChIKey |
XXHKWYBEHKUWRK-XXSPCDMZSA-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