General Information of the Compound
| Compound ID |
CP0504790
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| Compound Name |
4-benzyl-1-[3-(5-chloro-6-methoxynaphthalen-2-yl)-3-hydroxypropyl]piperidin-4-ol
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| Structure |
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| Formula |
C26H30ClNO3
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| Molecular Weight |
439.983
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| Canonical SMILES |
COc1ccc2cc(ccc2c1Cl)C(O)CCN1CCC(O)(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H30ClNO3/c1-31-24-10-8-20-17-21(7-9-22(20)25(24)27)23(29)11-14-28-15-12-26(30,13-16-28)18-19-5-3-2-4-6-19/h2-10,17,23,29-30H,11-16,18H2,1H3
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| InChIKey |
ATXUZVSWVVGJPF-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter