General Information of the Compound
| Compound ID |
CP0862426
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| Compound Name |
(4aR,4bS,6aS,9aR,9bR)-4a,6a-dimethyl-7-(pyridin-3-yl)-1a,2,3,4,4a,4b,5,6,6a,9,9a,9b,10,11-tetradecahydro-1H-cyclopenta[a]cyclopropa[j]phenanthren-2-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](CCC45CC4C(O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1
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| InChI |
InChI=1S/C25H33NO/c1-23-10-8-20-17(19(23)6-5-18(23)16-4-3-13-26-15-16)7-12-25-14-21(25)22(27)9-11-24(20,25)2/h3-5,13,15,17,19-22,27H,6-12,14H2,1-2H3/t17-,19-,20-,21?,22?,23+,24+,25?/m0/s1
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| InChIKey |
GKUYVJJRTHIXJZ-ZTOIBAOVSA-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