General Information of the Compound
| Compound ID |
CP0925566
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| Compound Name |
(3S,10R,13S)-17-Hydrazono-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-cyclopenta[a]phenanthren-16-one oxime
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| Structure |
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| Formula |
C19H29N3O2
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| Molecular Weight |
331.46
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| Canonical SMILES |
C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)C(=N/N)/C(=N/O)CC12
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| InChI |
InChI=1S/C19H29N3O2/c1-18-7-5-12(23)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(22-24)17(19)21-20/h3,12-15,23-24H,4-10,20H2,1-2H3/b21-17+,22-16+/t12-,13?,14?,15?,18-,19-/m0/s1
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| InChIKey |
PZRLBEKSVFUJLE-MBBNMPCMSA-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