General Information of the Compound
| Compound ID |
CP0457459
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| Compound Name |
(S)-N-(5-(3-(1,3-bis(3,4-dimethoxyphenyl)propan-2-ylamino)-2-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
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| Structure |
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| Formula |
C29H38N2O8S
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| Molecular Weight |
574.696
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| Canonical SMILES |
COc1ccc(CC(Cc2ccc(OC)c(OC)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
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| InChI |
InChI=1S/C29H38N2O8S/c1-36-26-10-7-19(16-28(26)38-3)12-22(13-20-8-11-27(37-2)29(17-20)39-4)30-18-23(32)14-21-6-9-25(33)24(15-21)31-40(5,34)35/h6-11,15-17,22-23,30-33H,12-14,18H2,1-5H3/t23-/m0/s1
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| InChIKey |
WRXCIXZVWQRAMR-QHCPKHFHSA-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