General Information of the Compound
| Compound ID |
CP0387633
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| Compound Name |
(3aS,7aR)-2-methyl-7a-naphthalen-2-yl-3,3a,4,5,6,7-hexahydro-1H-isoindole
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| Structure |
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| Formula |
C19H23N
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| Molecular Weight |
265.4
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| Canonical SMILES |
CN1C[C@H]2CCCC[C@]2(C1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C19H23N/c1-20-13-18-8-4-5-11-19(18,14-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,18H,4-5,8,11,13-14H2,1H3/t18-,19+/m1/s1
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| InChIKey |
BIDMNSYJUSJTRE-MOPGFXCFSA-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