General Information of the Compound
| Compound ID |
CP0461972
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| Compound Name |
CHEMBL3103898
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| Formula |
C20H14N4O2S
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| Molecular Weight |
374.425
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1cc2cc(ccc2[nH]1)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C20H14N4O2S/c25-18-15-3-1-10(6-13(15)9-21-18)11-2-4-16-12(5-11)7-14(22-16)8-17-19(26)24-20(27)23-17/h1-8,22H,9H2,(H,21,25)(H2,23,24,26,27)/b17-8+
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| InChIKey |
VMSBXFDGYSTYEM-CAOOACKPSA-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