General Information of the Compound
| Compound ID |
CP0450495
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| Compound Name |
CHEMBL2316435
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| Formula |
C39H45NO7
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| Molecular Weight |
639.789
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| Canonical SMILES |
COc1cc(\C=C\C(=O)O[C@H]2CC[C@H](CC2)N(C)[C@@H]2CC[C@@H](CC2)OC(=O)C2c3ccccc3-c3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C39H45NO7/c1-40(26-14-18-28(19-15-26)46-36(41)22-13-25-23-34(43-2)38(45-4)35(24-25)44-3)27-16-20-29(21-17-27)47-39(42)37-32-11-7-5-9-30(32)31-10-6-8-12-33(31)37/h5-13,22-24,26-29,37H,14-21H2,1-4H3/b22-13+/t26-,27-,28+,29+
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| InChIKey |
OWUNWYFBVXAWFX-PSDDJHKBSA-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