General Information of the Compound
| Compound ID |
CP0865634
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| Compound Name |
SID121283926
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| Structure |
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| Formula |
C39H57N5OS2
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| Molecular Weight |
676.053
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| Canonical SMILES |
CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S
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| InChI |
InChI=1S/C39H57N5OS2/c1-29(2)21-34-24-40-38(46)42(34)27-33-15-10-20-41(33)26-35(22-30-11-8-5-9-12-30)44-28-36(23-31-16-18-37(45)19-17-31)43(39(44)47)25-32-13-6-3-4-7-14-32/h5,8-9,11-12,16-19,29,32-36,45H,3-4,6-7,10,13-15,20-28H2,1-2H3,(H,40,46)/t33-,34+,35+,36+/m1/s1
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| InChIKey |
XLLCULDIIKOUKO-WISKXVKBSA-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