General Information of the Compound
| Compound ID |
CP0514858
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| Compound Name |
(6aR,10aR)-3-[1-(5-Bromopentyl)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 |
C25H35BrO3
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| Molecular Weight |
463.456
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1
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| InChI |
InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
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| InChIKey |
MQEHHGPBZZSHMP-WOJBJXKFSA-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