General Information of the Compound
| Compound ID |
CP0278964
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| Compound Name |
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C28H39F4N3O
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| Molecular Weight |
509.632
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C28H39F4N3O/c1-20(2)16-35(17-21(3)4)26-15-23(28(30,31)32)14-25(33-26)18-36-19-27(10-12-34(5)13-11-27)22-6-8-24(29)9-7-22/h6-9,14-15,20-21H,10-13,16-19H2,1-5H3
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| InChIKey |
HCFNCEYBYZIOAZ-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: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor