General Information of the Compound
| Compound ID |
CP0928825
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| Compound Name |
(5aS,5bS,7aS,10aS,10bR,12aS)-5a,7a-dimethyl-8-(4-methylpyridin-3-yl)-3,4,5,5a,5b,6,7,7a,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one
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| Structure |
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| Formula |
C25H34N2O
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| Molecular Weight |
378.56
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| Canonical SMILES |
Cc1ccncc1C1=CC[C@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C25H34N2O/c1-16-9-12-26-15-19(16)21-7-6-20-18-5-4-17-14-23(28)27-13-11-24(17,2)22(18)8-10-25(20,21)3/h7,9,12,15,17-18,20,22H,4-6,8,10-11,13-14H2,1-3H3,(H,27,28)/t17-,18-,20-,22-,24-,25-/m0/s1
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| InChIKey |
NSIQPNJAAQCXJJ-RSIBYXMTSA-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