General Information of the Compound
| Compound ID |
CP0418476
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| Compound Name |
4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3,4-diamine
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| Structure |
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| Formula |
C21H21N3
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| Molecular Weight |
315.42
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| Canonical SMILES |
CC(C)=C(c1ccncc1)c1ccc(cc1)-c1ccc(N)c(N)c1
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| InChI |
InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3
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| InChIKey |
GHOBTHCFQZXIBK-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial