General Information of the Compound
| Compound ID |
CP0508178
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[(3-pyrimidin-5-ylphenyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H18ClN5O
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| Molecular Weight |
391.862
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| Canonical SMILES |
Clc1c(OCc2cccc(c2)-c2cncnc2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C21H18ClN5O/c22-20-18(6-7-27-19(9-14-4-5-14)25-26-21(20)27)28-12-15-2-1-3-16(8-15)17-10-23-13-24-11-17/h1-3,6-8,10-11,13-14H,4-5,9,12H2
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| InChIKey |
VGMOQZOTFPVRIW-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