General Information of the Compound
| Compound ID |
CP0440756
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| Compound Name |
N-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C25H28N4O3S
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| Molecular Weight |
464.591
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| Canonical SMILES |
O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H28N4O3S/c30-33(31,22-12-11-20-7-1-2-8-21(20)19-22)26-13-5-6-14-28-15-17-29(18-16-28)25-23-9-3-4-10-24(23)32-27-25/h1-4,7-12,19,26H,5-6,13-18H2
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| InChIKey |
YKTBDLSRILDSHB-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