General Information of the Compound
| Compound ID |
CP0487834
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| Compound Name |
(2S)-5-(2,4-difluorophenylamino)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-oxopentanoate
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| Structure |
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| Formula |
C35H50F2N2O6
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| Molecular Weight |
632.789
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1F)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C35H50F2N2O6/c1-19(4-10-30(42)39-28(33(44)45)9-11-31(43)38-27-8-5-21(36)18-26(27)37)23-6-7-24-32-25(13-15-35(23,24)3)34(2)14-12-22(40)16-20(34)17-29(32)41/h5,8,18-20,22-25,28-29,32,40-41H,4,6-7,9-17H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t19-,20-,22-,23-,24+,25+,28+,29-,32+,34+,35-/m1/s1
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| InChIKey |
JWRZSUZCQHQCSB-DGTYLAMCSA-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