General Information of the Compound
| Compound ID |
CP0552416
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| Compound Name |
4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
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| Formula |
C20H19F3N6O2
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| Molecular Weight |
432.406
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| Canonical SMILES |
C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3N(C)CCOc23)n1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N6O2/c1-12(20(21,22)23)29-11-24-27-18(29)14-6-4-8-16(25-14)26-19(30)13-5-3-7-15-17(13)31-10-9-28(15)2/h3-8,11-12H,9-10H2,1-2H3,(H,25,26,30)/t12-/m0/s1
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| InChIKey |
NCQUIDLJDDHLGM-LBPRGKRZSA-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