General Information of the Compound
| Compound ID |
CP0579408
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| Compound Name |
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C25H23N7
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| Molecular Weight |
421.508
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| Canonical SMILES |
N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C25H23N7/c26-14-19-6-3-5-18(11-19)12-24-30-31-25(32(24)10-4-7-21-16-27-17-29-21)13-20-15-28-23-9-2-1-8-22(20)23/h1-3,5-6,8-9,11,15-17,28H,4,7,10,12-13H2,(H,27,29)
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| InChIKey |
HGKCHTOQENPZFF-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