General Information of the Compound
| Compound ID |
CP0423210
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| Compound Name |
tert-butyl (4S)-4-[[[(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
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| Structure |
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| Formula |
C32H50N2O5
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| Molecular Weight |
542.761
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| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H50N2O5/c1-19(35)24-11-12-25-23-10-9-20-15-22(36)13-14-31(20,7)27(23)26(16-32(24,25)8)33-17-21-18-38-30(5,6)34(21)28(37)39-29(2,3)4/h15,21,23-27,33H,9-14,16-18H2,1-8H3/t21-,23-,24+,25-,26-,27+,31-,32+/m0/s1
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| InChIKey |
VKPHLSBBJMKUQB-CGRWWXBZSA-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