General Information of the Compound
| Compound ID |
CP0494490
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| Compound Name |
2-[3-fluoro-5-[[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C26H25FN2O5
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| Molecular Weight |
464.493
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| Canonical SMILES |
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(F)cc(CC(O)=O)c3)c(C)c2)Oc2ccccc12
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| InChI |
InChI=1S/C26H25FN2O5/c1-16-9-20(33-15-21-14-29(2)23-5-3-4-6-24(23)34-21)7-8-22(16)26(32)28-19-11-17(12-25(30)31)10-18(27)13-19/h3-11,13,21H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t21-/m0/s1
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| InChIKey |
WYGORWBKEKKXDY-NRFANRHFSA-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