General Information of the Compound
| Compound ID |
CP0514711
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| Compound Name |
(+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-2-(3,4-difluorophenyl)-N-methyl-2-(1H-tetrazol-1-yl)acetamide
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| Structure |
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| Formula |
C25H28F2N6O2
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| Molecular Weight |
482.535
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| Canonical SMILES |
CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1
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| InChI |
InChI=1S/C25H28F2N6O2/c1-31(24(34)23(33-17-28-29-30-33)18-7-8-21(26)22(27)15-18)11-4-12-32-13-9-25(10-14-32)20-6-3-2-5-19(20)16-35-25/h2-3,5-8,15,17,23H,4,9-14,16H2,1H3
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| InChIKey |
KWXOIRHBFJEXMD-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1