General Information of the Compound
| Compound ID |
CP0562742
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| Compound Name |
3-[5-[3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H14N8
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| Molecular Weight |
402.421
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| Canonical SMILES |
N#Cc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
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| InChI |
InChI=1S/C23H14N8/c24-13-15-2-1-3-18(10-15)30-22(8-9-26-30)16-5-7-20-23(11-16)31(29-28-20)19-6-4-17-14-25-27-21(17)12-19/h1-12,14H,(H,25,27)
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| InChIKey |
WNLYAIQXOABIJF-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