General Information of the Compound
| Compound ID |
CP0408670
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| Compound Name |
(1R,4aR,5S,6R,8aS)-1-(hydroxymethyl)-5-[(2E)-2-[(4S)-4-hydroxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydronaphthalene-6,2'-oxirane]-2-one
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| Structure |
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| Formula |
C20H28O6
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| Molecular Weight |
364.438
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| Canonical SMILES |
C[C@]1(CO)[C@H]2CC[C@]3(CO3)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C20H28O6/c1-18-7-6-16(23)19(2,10-21)14(18)5-8-20(11-26-20)15(18)4-3-12-13(22)9-25-17(12)24/h3,13-15,21-22H,4-11H2,1-2H3/b12-3+/t13-,14+,15+,18-,19+,20+/m1/s1
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| InChIKey |
NITYKTLXNRKUDC-JFHRSRFMSA-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