General Information of the Compound
| Compound ID |
CP0482410
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| Compound Name |
5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1H-indole-3-carbonitrile
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| Structure |
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| Formula |
C17H21N3
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| Molecular Weight |
267.376
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| Canonical SMILES |
CN(C)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1
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| InChI |
InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-15(13)12-6-7-17-16(8-12)14(9-18)10-19-17/h6-8,10,13,15,19H,3-5,11H2,1-2H3/t13-,15-/m0/s1
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| InChIKey |
DWEUBXIQNVYDHT-ZFWWWQNUSA-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