General Information of the Compound
| Compound ID |
CP0538642
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| Compound Name |
(4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenyl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C19H19N5O/c1-14-18(21-22-24(14)17-5-4-10-20-13-17)15-6-8-16(9-7-15)19(25)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3
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| InChIKey |
QVRTZYPZFIWCPD-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