General Information of the Compound
| Compound ID |
CP0501307
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| Compound Name |
N-(3-methylpyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
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| Structure |
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| Formula |
C15H15N5S
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| Molecular Weight |
297.387
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| Canonical SMILES |
Cc1cccnc1Nc1nc-2c(CCCc3[nH]ncc-23)s1
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| InChI |
InChI=1S/C15H15N5S/c1-9-4-3-7-16-14(9)19-15-18-13-10-8-17-20-11(10)5-2-6-12(13)21-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,20)(H,16,18,19)
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| InChIKey |
VYMFSHRJSVAJCD-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