General Information of the Compound
| Compound ID |
CP0414888
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| Compound Name |
N-(dicyclopropylmethyl)-5-(2,4-dimethylphenyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C21H30N4
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| Molecular Weight |
338.499
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| Canonical SMILES |
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(C)cc2C)n(C)n1
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| InChI |
InChI=1S/C21H30N4/c1-5-12-25(19(16-7-8-16)17-9-10-17)21-22-20(24(4)23-21)18-11-6-14(2)13-15(18)3/h6,11,13,16-17,19H,5,7-10,12H2,1-4H3
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| InChIKey |
ZUMQPRMXUWIYTN-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