General Information of the Compound
| Compound ID |
CP0535415
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| Compound Name |
(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyrrolidin-1-ylpentan-1-one
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| Structure |
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| Formula |
C29H49NO3
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| Molecular Weight |
459.715
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| Canonical SMILES |
CO[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5CCCC5)[C@@]4(C)CC[C@H]23)C1
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| InChI |
InChI=1S/C29H49NO3/c1-19(7-10-26(32)30-15-5-6-16-30)22-8-9-23-27-24(12-14-29(22,23)3)28(2)13-11-21(33-4)17-20(28)18-25(27)31/h19-25,27,31H,5-18H2,1-4H3/t19-,20+,21-,22-,23+,24+,25-,27+,28+,29-/m1/s1
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| InChIKey |
XAJJTQNEPAMSED-NKRMQULXSA-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