General Information of the Compound
| Compound ID |
CP0447974
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| Compound Name |
CHEMBL1643346
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| Formula |
C35H45NO10
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| Molecular Weight |
639.742
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C#CC(=O)O[C@H]1CC[C@H](CC1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C35H45NO10/c1-36(25-11-15-27(16-12-25)46-35(38)23-20-30(41-4)34(44-7)31(21-23)42-5)24-9-13-26(14-10-24)45-32(37)17-8-22-18-28(39-2)33(43-6)29(19-22)40-3/h18-21,24-27H,9-16H2,1-7H3/t24-,25-,26+,27+
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| InChIKey |
TUDPGFIDCKVNGY-PVCJUVKBSA-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