General Information of the Compound
| Compound ID |
CP0432012
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| Compound Name |
CHEMBL2316430
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| Formula |
C41H56N2O9
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| Molecular Weight |
720.904
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| Canonical SMILES |
COc1ccc(cc1OC)C(CCC(=O)O[C@H]1CC[C@@H](CC1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)(C#N)C(C)C
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| InChI |
InChI=1S/C41H56N2O9/c1-27(2)41(26-42,29-10-19-34(46-4)35(25-29)47-5)22-21-39(45)52-33-17-13-31(14-18-33)43(3)30-11-15-32(16-12-30)51-38(44)20-9-28-23-36(48-6)40(50-8)37(24-28)49-7/h9-10,19-20,23-25,27,30-33H,11-18,21-22H2,1-8H3/b20-9+/t30-,31-,32-,33-,41?
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| InChIKey |
WOHMJNKGVJONJX-ZDXCCCBSSA-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