General Information of the Compound
| Compound ID |
CP0552886
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| Compound Name |
methyl (2S)-2-[[(2S,3R)-2-[[5-[(2-bromophenyl)methoxy]-4-oxochromene-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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| Formula |
C29H33BrN2O7
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| Molecular Weight |
601.494
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccccc3Br)cccc2o1)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C29H33BrN2O7/c1-6-17(4)26(28(35)31-25(16(2)3)29(36)37-5)32-27(34)23-14-20(33)24-21(12-9-13-22(24)39-23)38-15-18-10-7-8-11-19(18)30/h7-14,16-17,25-26H,6,15H2,1-5H3,(H,31,35)(H,32,34)/t17-,25+,26+/m1/s1
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| InChIKey |
ZXYRDFXYTBPYIB-PLZPTFKGSA-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