General Information of the Compound
| Compound ID |
CP0470458
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| Compound Name |
1-butyl-1-hydroxy-3-[3-methoxy-2-[2-(4-methoxyphenyl)sulfanylethoxy]-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]urea
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| Structure |
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| Formula |
C34H44N2O9S
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| Molecular Weight |
656.798
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| Canonical SMILES |
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(OC)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C34H44N2O9S/c1-7-8-15-36(38)34(37)35-26-18-22(19-29(40-3)32(26)44-16-17-46-25-11-9-24(39-2)10-12-25)27-13-14-28(45-27)23-20-30(41-4)33(43-6)31(21-23)42-5/h9-12,18-21,27-28,38H,7-8,13-17H2,1-6H3,(H,35,37)/t27-,28-/m0/s1
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| InChIKey |
BLBBNYMZJGQSAQ-NSOVKSMOSA-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