General Information of the Compound
| Compound ID |
CP0855583
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| Compound Name |
SID164339397
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| Structure |
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| Formula |
C18H16Cl2N4O2S2
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| Molecular Weight |
455.392
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| Canonical SMILES |
O=C(Nc1cccc(Cl)c1)Nc1nnc(CSCCOc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C18H16Cl2N4O2S2/c19-12-4-6-15(7-5-12)26-8-9-27-11-16-23-24-18(28-16)22-17(25)21-14-3-1-2-13(20)10-14/h1-7,10H,8-9,11H2,(H2,21,22,24,25)
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| InChIKey |
KLTOIPJAYFPKPX-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