General Information of the Compound
| Compound ID |
CP0424881
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| Compound Name |
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)-4-(trifluoromethyl)benzenesulfonamide
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| Formula |
C25H27F4N3O4S
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| Molecular Weight |
541.567
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C25H27F4N3O4S/c26-19-4-7-22-23(14-19)36-30-24(22)17-8-12-31(13-9-17)10-1-11-32(20-15-35-16-20)37(33,34)21-5-2-18(3-6-21)25(27,28)29/h2-7,14,17,20H,1,8-13,15-16H2
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| InChIKey |
XBZBVCQJAKKJRK-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor