General Information of the Compound
| Compound ID |
CP0511484
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| Compound Name |
(2R,3R,4aR,10aR)-4a-ethyl-3-methyl-2-pyridin-4-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
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| Structure |
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| Formula |
C22H27NO3
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| Molecular Weight |
353.462
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| Canonical SMILES |
CC[C@@]12C[C@@](C)(O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccncc1
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| InChI |
InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,16-8-10-23-11-9-16)13-17(21)5-4-15-12-18(24)6-7-19(15)21/h6-12,17,24-26H,3-5,13-14H2,1-2H3/t17-,20-,21-,22-/m1/s1
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| InChIKey |
QFASAOKHBCPVQE-BRKWEVRTSA-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