General Information of the Compound
| Compound ID |
CP0902734
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| Compound Name |
(3aS,5aS,5bR,8S,11aR,11bS)-3a,5b-dimethyl-3-(pyridin-3-yl)-3a,4,5,5a,5b,6,7,8,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8-ol
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| Structure |
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| Formula |
C25H33NO
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| Molecular Weight |
363.545
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC4CC45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1
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| InChI |
InChI=1S/C25H33NO/c1-23-9-8-22-19(21(23)6-5-20(23)16-4-3-11-26-15-16)12-17-13-25(17)14-18(27)7-10-24(22,25)2/h3-5,11,15,17-19,21-22,27H,6-10,12-14H2,1-2H3/t17?,18-,19-,21-,22-,23+,24+,25?/m0/s1
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| InChIKey |
SGBMHXUDAZFBJG-GJWXZKPCSA-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