General Information of the Compound
| Compound ID |
CP0504019
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| Compound Name |
N-(5-phenylpyrazin-2-yl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OCCc1ccccc21
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| InChI |
InChI=1S/C24H24N4O2/c29-23(27-22-17-25-21(16-26-22)19-7-2-1-3-8-19)28-13-11-24(12-14-28)20-9-5-4-6-18(20)10-15-30-24/h1-9,16-17H,10-15H2,(H,26,27,29)
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| InChIKey |
TUMSRTFIRFTRCG-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