General Information of the Compound
| Compound ID |
CP0482409
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| Compound Name |
5-[(1R,2S)-2-(methylaminomethyl)cyclopentyl]-1H-indole-3-carbonitrile
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| Structure |
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| Formula |
C16H19N3
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| Molecular Weight |
253.349
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| Canonical SMILES |
CNC[C@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1
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| InChI |
InChI=1S/C16H19N3/c1-18-9-12-3-2-4-14(12)11-5-6-16-15(7-11)13(8-17)10-19-16/h5-7,10,12,14,18-19H,2-4,9H2,1H3/t12-,14+/m1/s1
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| InChIKey |
PUIPTRFLVUMEKQ-OCCSQVGLSA-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