General Information of the Compound
| Compound ID |
CP0510213
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| Compound Name |
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-3-chloro-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C20H22ClFN4O3S
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| Molecular Weight |
452.939
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| Canonical SMILES |
Fc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C20H22ClFN4O3S/c21-17-14-15(6-7-18(17)22)30(27,28)23-8-3-9-25-10-12-26(13-11-25)20-16-4-1-2-5-19(16)29-24-20/h1-2,4-7,14,23H,3,8-13H2
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| InChIKey |
WPDFUYMLDBHNAG-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor