General Information of the Compound
| Compound ID |
CP0795376
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| Compound Name |
SID24797727
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| Structure |
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| Formula |
C23H22Cl3N3O2
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| Molecular Weight |
478.807
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| Canonical SMILES |
Cl.N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H21Cl2N3O2.ClH/c24-17-10-11-22(19(25)12-17)30-15-18(29)14-28-21-9-5-4-8-20(21)27(23(28)26)13-16-6-2-1-3-7-16;/h1-12,18,26,29H,13-15H2;1H
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| InChIKey |
OBGXZGAQYJHMLA-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: PT06124, Paired box protein Pax-8