General Information of the Compound
| Compound ID |
CP0400988
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| Compound Name |
1-butyl-3-[2-[2-(3,4-dichlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]-1-hydroxyurea
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| Structure |
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| Formula |
C33H40Cl2N2O8S
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| Molecular Weight |
695.662
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| Canonical SMILES |
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H40Cl2N2O8S/c1-6-7-12-37(39)33(38)36-25-15-20(16-28(40-2)31(25)44-13-14-46-22-8-9-23(34)24(35)19-22)26-10-11-27(45-26)21-17-29(41-3)32(43-5)30(18-21)42-4/h8-9,15-19,26-27,39H,6-7,10-14H2,1-5H3,(H,36,38)/t26-,27-/m0/s1
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| InChIKey |
PNTJLCVETNUMNP-SVBPBHIXSA-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