General Information of the Compound
| Compound ID |
CP0932755
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| Compound Name |
SID121283953
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| Structure |
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| Formula |
C36H53N5OS2
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| Molecular Weight |
635.988
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| Canonical SMILES |
CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CCc1ccccc1
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| InChI |
InChI=1S/C36H53N5OS2/c1-26(2)19-32(41-25-33(20-27(3)4)39(36(41)44)18-16-28-9-6-5-7-10-28)23-38-17-8-11-30(38)24-40-31(22-37-35(40)43)21-29-12-14-34(42)15-13-29/h5-7,9-10,12-15,26-27,30-33,42H,8,11,16-25H2,1-4H3,(H,37,43)/t30-,31+,32+,33+/m1/s1
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| InChIKey |
MPPRMBLAGUCTKA-GJBCSVNNSA-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