General Information of the Compound
| Compound ID |
CP0413714
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| Compound Name |
7-(4-phenylpiperidin-1-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C23H26N6
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| Molecular Weight |
386.503
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| Canonical SMILES |
N#Cc1c(ccn2c(CN3CCCC3)nnc12)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H26N6/c24-16-20-21(28-13-8-19(9-14-28)18-6-2-1-3-7-18)10-15-29-22(25-26-23(20)29)17-27-11-4-5-12-27/h1-3,6-7,10,15,19H,4-5,8-9,11-14,17H2
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| InChIKey |
CXEDABSBOIDRFN-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