General Information of the Compound
| Compound ID |
CP0125384
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| Compound Name |
12-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C16H9N5
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| Molecular Weight |
271.283
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1cccnc1
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| InChI |
InChI=1S/C16H9N5/c17-6-12-5-13-14-4-11(10-2-1-3-18-7-10)8-20-16(14)21-15(13)9-19-12/h1-5,7-9H,(H,20,21)
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| InChIKey |
TXOCOARONBTPPC-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