General Information of the Compound
| Compound ID |
CP0818133
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| Compound Name |
SID24800735
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| Structure |
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| Formula |
C24H26ClN3O
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| Molecular Weight |
407.945
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| Canonical SMILES |
OCC1(Cc2ccccc2)CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1
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| InChI |
InChI=1S/C24H26ClN3O/c25-22-8-6-21(7-9-22)23-26-15-20(16-27-23)17-28-12-10-24(18-29,11-13-28)14-19-4-2-1-3-5-19/h1-9,15-16,29H,10-14,17-18H2
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| InChIKey |
BJKHXHRFWQAEJY-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