General Information of the Compound
| Compound ID |
CP0414238
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| Compound Name |
3-(5-chloropyridin-3-yl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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| Structure |
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| Formula |
C14H9ClN6
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| Molecular Weight |
296.721
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| Canonical SMILES |
Cc1nc2ccncc2n2c(nnc12)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C14H9ClN6/c1-8-13-19-20-14(9-4-10(15)6-17-5-9)21(13)12-7-16-3-2-11(12)18-8/h2-7H,1H3
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| InChIKey |
OCWQKNBHGUKZDI-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