General Information of the Compound
| Compound ID |
CP0868591
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| Compound Name |
SID121283958
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| Structure |
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| Formula |
C39H57N5O2S2
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| Molecular Weight |
692.052
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| Canonical SMILES |
CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S
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| InChI |
InChI=1S/C39H57N5O2S2/c1-28(2)20-34(25-41-19-7-10-32(41)26-42-33(23-40-38(42)47)21-29-11-15-36(45)16-12-29)44-27-35(22-30-13-17-37(46)18-14-30)43(39(44)48)24-31-8-5-3-4-6-9-31/h11-18,28,31-35,45-46H,3-10,19-27H2,1-2H3,(H,40,47)/t32-,33+,34+,35+/m1/s1
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| InChIKey |
LAZZTJJMWPLAFV-KWRMZWAXSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3