General Information of the Compound
| Compound ID |
CP0789515
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| Compound Name |
SID24816284
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| Structure |
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| Formula |
C22H27Cl2N3O2S
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| Molecular Weight |
468.45
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| Canonical SMILES |
Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)nc2c1.Cl
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| InChI |
InChI=1S/C22H26ClN3O2S.ClH/c1-15-12-16(2)21-19(13-15)24-22(29-21)26(11-5-10-25(3)4)20(27)14-28-18-8-6-17(23)7-9-18;/h6-9,12-13H,5,10-11,14H2,1-4H3;1H
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| InChIKey |
KJQOSEIXZNQGHY-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: PT06033, Microphthalmia-associated transcription factor