General Information of the Compound
| Compound ID |
CP0267721
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| Compound Name |
(2S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide
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| Structure |
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| Formula |
C30H40N3O9PS
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| Molecular Weight |
649.703
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1)OCC
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| InChI |
InChI=1S/C30H40N3O9PS/c1-6-41-43(37,42-7-2)20-21-8-13-24(14-9-21)32-29(36)30(3,23-11-15-25(40-4)16-12-23)31-19-28(35)22-10-17-27(34)26(18-22)33-44(5,38)39/h8-18,28,31,33-35H,6-7,19-20H2,1-5H3,(H,32,36)/t28-,30-/m0/s1
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| InChIKey |
CDJVEGFGUHCFGR-JDXGNMNLSA-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