General Information of the Compound
| Compound ID |
CP0502799
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| Compound Name |
(6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol
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| Structure |
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| Formula |
C24H35BrO3
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| Molecular Weight |
451.445
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12)C1(CCCCCBr)CCC1
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| InChI |
InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1
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| InChIKey |
CYVNIVQCBPNSMZ-IPMKNSEASA-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