General Information of the Compound
| Compound ID |
CP0417697
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| Compound Name |
N-[2-chloro-4-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]phenyl]oxan-4-amine
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| Structure |
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| Formula |
C22H22ClF3N4O
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| Molecular Weight |
450.892
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1
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| InChI |
InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2
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| InChIKey |
XQCCADHVKCTQDD-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