General Information of the Compound
| Compound ID |
CP0568709
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| Compound Name |
3-[[5-[(3,5-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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| Structure |
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| Formula |
C24H22Cl2N6
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| Molecular Weight |
465.388
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| Canonical SMILES |
Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C24H22Cl2N6/c25-18-8-16(9-19(26)12-18)10-23-30-31-24(32(23)7-3-4-20-14-27-15-29-20)11-17-13-28-22-6-2-1-5-21(17)22/h1-2,5-6,8-9,12-15,28H,3-4,7,10-11H2,(H,27,29)
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| InChIKey |
LRCHHOBUKCWDEV-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