General Information of the Compound
| Compound ID |
CP0357136
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| Compound Name |
16-[(2-Methoxypyrimidin-5-yl)methylidene]-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1
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| InChI |
InChI=1S/C25H33N3O3/c1-24-10-8-21(29)28(3)20(24)6-5-17-18(24)7-9-25(2)19(17)12-16(22(25)30)11-15-13-26-23(31-4)27-14-15/h8,10-11,13-14,17-20,22,30H,5-7,9,12H2,1-4H3/b16-11+/t17-,18+,19+,20-,22+,24-,25+/m1/s1
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| InChIKey |
ZTDAUYAGQDTMES-NTRGXQNNSA-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