General Information of the Compound
| Compound ID |
CP0508011
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| Compound Name |
2-[5-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-2-methylphenyl]acetic acid
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| Structure |
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| Formula |
C26H25ClN2O5
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| Molecular Weight |
480.948
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| Canonical SMILES |
CN1C[C@@H](COc2ccc(C(=O)Nc3ccc(C)c(CC(O)=O)c3)c(Cl)c2)Oc2ccccc12
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| InChI |
InChI=1S/C26H25ClN2O5/c1-16-7-8-18(11-17(16)12-25(30)31)28-26(32)21-10-9-19(13-22(21)27)33-15-20-14-29(2)23-5-3-4-6-24(23)34-20/h3-11,13,20H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t20-/m0/s1
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| InChIKey |
MROUCNNGCDBWSW-FQEVSTJZSA-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