General Information of the Compound
Compound ID |
CP0574222
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Compound Name |
2-[[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-[3,5-bis(trifluoromethyl)phenoxy]propan-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 |
C36H49F6NO6
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Molecular Weight |
705.777
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Canonical SMILES |
C[C@H](COc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[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
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InChI |
InChI=1S/C36H49F6NO6/c1-21(19-48-25-15-22(35(37,38)39)14-23(16-25)36(40,41)42)27-4-5-28-26-17-30(44)34(46)18-24(49-20-31(45)43-10-12-47-13-11-43)6-9-33(34,3)29(26)7-8-32(27,28)2/h14-16,21,24,26-30,44,46H,4-13,17-20H2,1-3H3/t21-,24+,26+,27-,28+,29+,30-,32-,33-,34+/m1/s1
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InChIKey |
TXIATQUJSWMSID-PZCGZSAMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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