General Information of the Compound
| Compound ID |
CP0489652
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| Compound Name |
CHEMBL4464354
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| Formula |
C33H42O5
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| Molecular Weight |
518.694
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| Canonical SMILES |
CC(C)=CCC1(CC=C(C)C)C(O)=C([C@H]2C[C@H](CC[C@@]2(C)O)C(C)=C)C(O)=C(C(=O)c2ccccc2)C1=O
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| InChI |
InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)26(25-19-24(22(5)6)15-16-32(25,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24-25,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,25+,32+/m0/s1
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| InChIKey |
LAEPBUWGXTYONC-BRUQSJHLSA-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