General Information of the Compound
| Compound ID |
CP0872825
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| Compound Name |
SID49646136
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| Structure |
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| Formula |
C20H23Cl2NO
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| Molecular Weight |
364.316
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| Canonical SMILES |
Cl.O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C20H22ClNO.ClH/c21-18-11-9-17(10-12-18)20(23)19(16-7-3-1-4-8-16)15-22-13-5-2-6-14-22;/h1,3-4,7-12,19H,2,5-6,13-15H2;1H
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| InChIKey |
HEGKYCDWMSIOJG-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