General Information of the Compound
| Compound ID |
CP0406989
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| Compound Name |
CHEMBL4093427
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| Formula |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
OCCCN\C=C1\C(=O)N(N=C1c1ccccc1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,21,25H,6,11-12H2/b15-13+
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| InChIKey |
RQYROBYFFYZJNY-FYWRMAATSA-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