General Information of the Compound
| Compound ID |
CP0233971
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| Compound Name |
(13R)-4-amino-13-(2-chlorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
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| Structure |
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| Formula |
C18H13ClN4OS
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| Molecular Weight |
368.849
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| Canonical SMILES |
Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl
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| InChI |
InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1
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| InChIKey |
LUTXIHFTNWRKIR-JTQLQIEISA-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