General Information of the Compound
| Compound ID |
CP0427401
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| Compound Name |
(3S)-1-ethyl-3-[(2R)-2-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]piperidin-2-one
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| Structure |
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| Formula |
C29H47NO2
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| Molecular Weight |
441.7
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| Canonical SMILES |
CCN1CCC[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1=O
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| InChI |
InChI=1S/C29H47NO2/c1-5-30-16-6-7-20(27(30)32)17-19(2)24-10-11-25-23-9-8-21-18-22(31)12-14-28(21,3)26(23)13-15-29(24,25)4/h8,19-20,22-26,31H,5-7,9-18H2,1-4H3/t19-,20+,22+,23+,24-,25+,26+,28+,29-/m1/s1
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| InChIKey |
QBHGDDIWVVEIEP-NRPUAGBSSA-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