General Information of the Compound
| Compound ID |
CP0157701
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| Compound Name |
2-[(3S)-4-[2-(carbamoylamino)pyridine-4-carbonyl]-7-fluoro-6-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
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| Structure |
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| Formula |
C22H26FN5O4
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| Molecular Weight |
443.479
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccnc(NC(N)=O)c1
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| InChI |
InChI=1S/C22H26FN5O4/c1-12(2)6-14-7-17-18(10-16(14)23)32-11-15(9-20(29)25-3)28(17)21(30)13-4-5-26-19(8-13)27-22(24)31/h4-5,7-8,10,12,15H,6,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,31)/t15-/m0/s1
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| InChIKey |
NVMGBEWNMCNKHG-HNNXBMFYSA-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