General Information of the Compound
| Compound ID |
CP0796052
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| Compound Name |
SID22411700
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| Structure |
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| Formula |
C25H26ClN3O2
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| Molecular Weight |
435.955
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| Canonical SMILES |
COc1ccccc1N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1
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| InChI |
InChI=1S/C25H26ClN3O2/c1-31-23-9-5-4-8-22(23)28-12-14-29(15-13-28)25(30)17-10-11-19-21(16-17)27-20-7-3-2-6-18(20)24(19)26/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3
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| InChIKey |
HMUKBHNROCMNOF-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3