General Information of the Compound
| Compound ID |
CP0177061
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| Compound Name |
(1S,2S,5S,6S,9S,10R,14R,15S)-5-methylpentacyclo[12.3.3.0^{1,13}.0^{2,10}.0^{5,9}]icosa-12,18-diene-6,15-diol
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| Structure |
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| Formula |
C21H30O2
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| Molecular Weight |
314.469
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C21H30O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h2,5,10,13-15,17-19,22-23H,3-4,6-9,11-12H2,1H3/t13-,14+,15-,17-,18-,19-,20-,21-/m0/s1
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| InChIKey |
WCUZTHQKZLCKKU-ZXCCYJNTSA-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