General Information of the Compound
| Compound ID |
CP0853493
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| Compound Name |
1-((3S,10R,13S,17R)-3,17-Dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone oxime
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| Structure |
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| Formula |
C21H33NO3
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| Molecular Weight |
347.499
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| Canonical SMILES |
C/C(=N/O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
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| InChI |
InChI=1S/C21H33NO3/c1-13(22-25)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-25H,5-12H2,1-3H3/b22-13-/t15-,16+,17-,18-,19-,20-,21-/m0/s1
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| InChIKey |
APPUXDKAIYXQHD-YMXNQFANSA-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