General Information of the Compound
| Compound ID |
CP0473748
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| Compound Name |
17-[(6S)-6-Methyl-5,6-dihydropyridin-2(1H)-one-6-yl]-androst-4-ene-3-one
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| Structure |
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| Formula |
C25H35NO2
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| Molecular Weight |
381.56
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1
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| InChI |
InChI=1S/C25H35NO2/c1-23-13-10-17(27)15-16(23)6-7-18-19-8-9-21(24(19,2)14-11-20(18)23)25(3)12-4-5-22(28)26-25/h4-5,15,18-21H,6-14H2,1-3H3,(H,26,28)/t18-,19-,20-,21-,23-,24-,25-/m0/s1
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| InChIKey |
BGVJPSPQECKBQR-XEYKCJAPSA-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