General Information of the Compound
| Compound ID |
CP0264225
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| Compound Name |
(1S,2S,5S,6S,9S,10R,14S,19S)-6,19-dihydroxy-5-methylpentacyclo[12.3.2.0^{1,13}.0^{2,10}.0^{5,9}]nonadec-12-en-15-one
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| Structure |
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| Formula |
C20H28O3
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| Molecular Weight |
316.441
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C20H28O3/c1-19-8-6-13-11(12(19)4-5-17(19)23)2-3-14-18-15(21)7-9-20(13,14)10-16(18)22/h3,11-13,16-18,22-23H,2,4-10H2,1H3/t11-,12-,13-,16-,17-,18+,19-,20-/m0/s1
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| InChIKey |
NOOXMSAWFFPGAB-WNGLNPKMSA-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