General Information of the Compound
| Compound ID |
CP0421575
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| Compound Name |
4-cyano-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
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| Formula |
C25H27FN4O4S
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| Molecular Weight |
498.58
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C25H27FN4O4S/c26-20-4-7-23-24(14-20)34-28-25(23)19-8-12-29(13-9-19)10-1-11-30(21-16-33-17-21)35(31,32)22-5-2-18(15-27)3-6-22/h2-7,14,19,21H,1,8-13,16-17H2
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| InChIKey |
CJBURTCEIHHDKD-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