General Information of the Compound
| Compound ID |
CP0904684
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| Compound Name |
5-(2-benzylpiperazin-1-yl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
NC(=O)c1cc2cc(N3CCNCC3Cc3ccccc3)ccc2[nH]1
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| InChI |
InChI=1S/C20H22N4O/c21-20(25)19-12-15-11-16(6-7-18(15)23-19)24-9-8-22-13-17(24)10-14-4-2-1-3-5-14/h1-7,11-12,17,22-23H,8-10,13H2,(H2,21,25)
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| InChIKey |
WBGRUPCVVLWKNH-UHFFFAOYSA-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