General Information of the Compound
| Compound ID |
CP0487732
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| Compound Name |
(6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,8,10,10ahexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
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| Structure |
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| Formula |
C26H37BrO3
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| Molecular Weight |
477.483
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1
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| InChI |
InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
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| InChIKey |
OEZFJNWWAFCVCB-NHCUHLMSSA-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