General Information of the Compound
| Compound ID |
CP0578656
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| Compound Name |
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
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| Structure |
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| Formula |
C24H21Cl2FN6
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| Molecular Weight |
483.378
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C24H21Cl2FN6/c25-20-6-3-15(8-21(20)26)9-23-31-32-24(33(23)7-1-2-18-13-28-14-30-18)10-16-12-29-22-11-17(27)4-5-19(16)22/h3-6,8,11-14,29H,1-2,7,9-10H2,(H,28,30)
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| InChIKey |
AYBQPLWOCHOTEZ-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