General Information of the Compound
| Compound ID |
CP0926856
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| Compound Name |
3-hydroxy-13-methyl-8,9,11,12,13,14,15,16-octahydro-7H-cyclopenta[a]phenanthrene-6,17-dione dioxime
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| Structure |
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| Formula |
C18H22N2O3
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| Molecular Weight |
314.385
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| Canonical SMILES |
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\O)C[C@H]3[C@@H]1CC/C2=N\O
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| InChI |
InChI=1S/C18H22N2O3/c1-18-7-6-12-11-3-2-10(21)8-14(11)16(19-22)9-13(12)15(18)4-5-17(18)20-23/h2-3,8,12-13,15,21-23H,4-7,9H2,1H3/b19-16-,20-17+/t12-,13-,15+,18+/m1/s1
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| InChIKey |
UQBYTPRRBPDSFY-UYUXTSPESA-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