General Information of the Compound
| Compound ID |
CP0457363
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| Compound Name |
CHEMBL3104902
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| Formula |
C19H20N6OS
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| Molecular Weight |
380.477
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| Canonical SMILES |
CCCn1ccnc1SCc1cc(O)n2nc(Cc3ccccc3)nc2n1
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| InChI |
InChI=1S/C19H20N6OS/c1-2-9-24-10-8-20-19(24)27-13-15-12-17(26)25-18(21-15)22-16(23-25)11-14-6-4-3-5-7-14/h3-8,10,12,26H,2,9,11,13H2,1H3
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| InChIKey |
YSQIGCNFKQATDY-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