General Information of the Compound
| Compound ID |
CP0387987
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| Compound Name |
N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpyrimidin-2-amine
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
C(N(C1CCNCC1)c1ncccn1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C20H22N4/c1-2-5-18-14-16(6-7-17(18)4-1)15-24(19-8-12-21-13-9-19)20-22-10-3-11-23-20/h1-7,10-11,14,19,21H,8-9,12-13,15H2
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| InChIKey |
GSCMKUDZZALNHS-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter