General Information of the Compound
| Compound ID |
CP0906961
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| Compound Name |
3-(4-(2-(1H-Indol-3-yl)ethyl)-5-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C22H23Cl2N5
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| Molecular Weight |
428.367
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| Canonical SMILES |
NCCCc1nnc(Cc2ccc(Cl)c(Cl)c2)n1CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H23Cl2N5/c23-18-8-7-15(12-19(18)24)13-22-28-27-21(6-3-10-25)29(22)11-9-16-14-26-20-5-2-1-4-17(16)20/h1-2,4-5,7-8,12,14,26H,3,6,9-11,13,25H2
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| InChIKey |
XAWJCLYFTRMKHD-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