General Information of the Compound
| Compound ID |
CP0912489
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| Compound Name |
SID121283770
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| Structure |
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| Formula |
C37H47N3O3
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| Molecular Weight |
581.801
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| Canonical SMILES |
CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1
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| InChI |
InChI=1S/C37H47N3O3/c1-24(2)40(25(3)4)36(43)33-20-30(21-34(41)38-22-29-14-11-13-28-12-9-10-15-32(28)29)35(42)39(26(33)5)23-27-16-18-31(19-17-27)37(6,7)8/h9-19,24-25,30H,20-23H2,1-8H3,(H,38,41)
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| InChIKey |
MHIBDQBBZKDNIR-UHFFFAOYSA-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