General Information of the Compound
| Compound ID |
CP0509718
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| Compound Name |
(2S)-5-(4-tert-butylphenylamino)-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 |
C39H60N2O6
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| Molecular Weight |
652.917
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(cc1)C(C)(C)C)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/C39H60N2O6/c1-23(7-15-34(45)41-31(36(46)47)14-16-33(44)40-26-10-8-24(9-11-26)37(2,3)4)28-12-13-29-35-30(18-20-39(28,29)6)38(5)19-17-27(42)21-25(38)22-32(35)43/h8-11,23,25,27-32,35,42-43H,7,12-22H2,1-6H3,(H,40,44)(H,41,45)(H,46,47)/t23-,25-,27-,28-,29+,30+,31+,32-,35+,38+,39-/m1/s1
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| InChIKey |
FBDFYVDXBPVMIO-VSDBRFRMSA-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