General Information of the Compound
| Compound ID |
CP0485357
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| Compound Name |
(S)-1-(2-(4-(6-fluoronaphthalen-2-yl)piperazin-1-yl)ethyl)isochroman-6-carboxamide
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1
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| InChI |
InChI=1S/C26H28FN3O2/c27-22-4-1-19-17-23(5-2-18(19)16-22)30-12-10-29(11-13-30)9-7-25-24-6-3-21(26(28)31)15-20(24)8-14-32-25/h1-6,15-17,25H,7-14H2,(H2,28,31)/t25-/m0/s1
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| InChIKey |
LSKWSFUPQIOHOG-VWLOTQADSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00871, Sodium-dependent serotonin transporter