General Information of the Compound
| Compound ID |
CP0967833
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| Compound Name |
3-(2-(3-(3,4-Dichlorobenzyl)-5-(piperidin-4-yl)-4H-1,2,4-triazol-4-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C24H25Cl2N5
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| Molecular Weight |
454.405
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| Canonical SMILES |
Clc1ccc(Cc2nnc(C3CCNCC3)n2CCc2c[nH]c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C24H25Cl2N5/c25-20-6-5-16(13-21(20)26)14-23-29-30-24(17-7-10-27-11-8-17)31(23)12-9-18-15-28-22-4-2-1-3-19(18)22/h1-6,13,15,17,27-28H,7-12,14H2
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| InChIKey |
IVLSLKUOKWZCLK-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