General Information of the Compound
| Compound ID |
CP0579088
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| Compound Name |
1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine
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| Structure |
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| Formula |
C22H25N3
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| Molecular Weight |
331.463
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2ccccc2c1N1CCC(N)CC1
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| InChI |
InChI=1S/C22H25N3/c1-15-11-16(2)13-17(12-15)20-14-24-21-6-4-3-5-19(21)22(20)25-9-7-18(23)8-10-25/h3-6,11-14,18H,7-10,23H2,1-2H3
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| InChIKey |
PXMFLCMJLHVWNN-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