General Information of the Compound
| Compound ID |
CP0473621
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| Compound Name |
(6aR,10aR)-3-(2-Hexyl-1,3-dithiolan-2-yl)-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 |
C24H34O3S2
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| Molecular Weight |
434.667
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| Canonical SMILES |
CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C24H34O3S2/c1-4-5-6-7-10-24(28-11-12-29-24)16-13-20(26)22-18-15-17(25)8-9-19(18)23(2,3)27-21(22)14-16/h13-14,18-19,26H,4-12,15H2,1-3H3/t18-,19-/m1/s1
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| InChIKey |
OUPICNWXPVNWII-RTBURBONSA-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