General Information of the Compound
| Compound ID |
CP0572143
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| Compound Name |
methyl (2S,3R)-2-[[5-[(4-bromophenyl)methoxy]-4-oxochromene-2-carbonyl]amino]-3-methylpentanoate
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| Formula |
C24H24BrNO6
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| Molecular Weight |
502.361
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1)C(=O)OC
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| InChI |
InChI=1S/C24H24BrNO6/c1-4-14(2)22(24(29)30-3)26-23(28)20-12-17(27)21-18(6-5-7-19(21)32-20)31-13-15-8-10-16(25)11-9-15/h5-12,14,22H,4,13H2,1-3H3,(H,26,28)/t14-,22+/m1/s1
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| InChIKey |
VYMSPARZJINZTP-PEBXRYMYSA-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