General Information of the Compound
| Compound ID |
CP0484359
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| Compound Name |
(S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl)ethyl)-3,4-dihydro-1H-isochromene-6-carboxamide
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
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| InChI |
InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1
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| InChIKey |
IRSJJJFRMIQSOE-SANMLTNESA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00871, Sodium-dependent serotonin transporter