General Information of the Compound
| Compound ID |
CP0265653
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| Compound Name |
13-(2-chlorophenyl)-6-methyl-4,11-dioxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-5-carbonitrile
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| Structure |
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| Formula |
C18H12ClN3O2S
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| Molecular Weight |
369.833
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| Canonical SMILES |
Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
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| InChI |
InChI=1S/C18H12ClN3O2S/c1-8-11(7-20)17(24)22-15-14-10(9-4-2-3-5-12(9)19)6-13(23)21-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,21,23)(H,22,24)
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| InChIKey |
ZMEYXBUVCJMXTL-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