General Information of the Compound
| Compound ID |
CP0460217
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| Compound Name |
1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpiperazin-1-yl)ethyl)-3,4-dihydro-1H-isochromene-6-carboxamide
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| Structure |
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| Formula |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
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| InChI |
InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1
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| InChIKey |
BVWYBVKUPUODDY-QOBPCVTDSA-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