General Information of the Compound
| Compound ID |
CP0187236
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| Compound Name |
(3S)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
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| Structure |
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| Formula |
C16H19ClN2O
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| Molecular Weight |
290.794
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| Canonical SMILES |
Cl.C[C@@H]1NCCCN(c2ccc3ccccc3c2)C1=O
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| InChI |
InChI=1S/C16H18N2O.ClH/c1-12-16(19)18(10-4-9-17-12)15-8-7-13-5-2-3-6-14(13)11-15;/h2-3,5-8,11-12,17H,4,9-10H2,1H3;1H/t12-;/m0./s1
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| InChIKey |
XJTZQDVYMGLFOP-YDALLXLXSA-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