General Information of the Compound
| Compound ID |
CP0413721
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| Compound Name |
3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C22H23N5
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| Molecular Weight |
357.461
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| Canonical SMILES |
N#Cc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2
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| InChIKey |
NNJSEFPZMRLEPI-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