General Information of the Compound
| Compound ID |
CP0560924
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| Compound Name |
2-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C35H59NO5
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| Molecular Weight |
573.859
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| Canonical SMILES |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1)C(C)C
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| InChI |
InChI=1S/C35H59NO5/c1-7-25(23(2)3)9-8-24(4)28-10-11-29-27-20-31(37)35(39)21-26(41-22-32(38)36-16-18-40-19-17-36)12-15-34(35,6)30(27)13-14-33(28,29)5/h8-9,23-31,37,39H,7,10-22H2,1-6H3/b9-8+/t24-,25-,26+,27+,28-,29+,30+,31-,33-,34-,35+/m1/s1
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| InChIKey |
KKTCQIPPUNTAAA-CGUDRZBZSA-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