General Information of the Compound
| Compound ID |
CP0893419
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| Compound Name |
SID99360689
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| Structure |
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| Formula |
C35H43N3O3
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| Molecular Weight |
553.747
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| Canonical SMILES |
CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)C(CC(=O)NCc2cccc3ccccc23)C1
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| InChI |
InChI=1S/C35H43N3O3/c1-7-37(8-2)34(41)31-20-28(21-32(39)36-22-27-14-11-13-26-12-9-10-15-30(26)27)33(40)38(24(31)3)23-25-16-18-29(19-17-25)35(4,5)6/h9-19,28H,7-8,20-23H2,1-6H3,(H,36,39)
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| InChIKey |
QJSXZPHPFMAOIQ-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