General Information of the Compound
| Compound ID |
CP0399291
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| Compound Name |
(1R,3S)-N,N-diethyl-3-(2-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C20H25NO
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| Molecular Weight |
295.426
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| Canonical SMILES |
CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C20H25NO/c1-4-21(5-2)18-14-20(17-12-8-7-11-16(17)18)22-19-13-9-6-10-15(19)3/h6-13,18,20H,4-5,14H2,1-3H3/t18-,20+/m1/s1
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| InChIKey |
VQTWAJKQIHYINF-QUCCMNQESA-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