General Information of the Compound
| Compound ID |
CP0380708
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| Compound Name |
2-[2-methoxy-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 |
C27H28N2O6
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| Molecular Weight |
476.529
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)cc1CC(O)=O
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| InChI |
InChI=1S/C27H28N2O6/c1-17-12-20(34-16-21-15-29(2)23-6-4-5-7-25(23)35-21)9-10-22(17)27(32)28-19-8-11-24(33-3)18(13-19)14-26(30)31/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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| InChIKey |
NAGFMRPTNOHLQL-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