General Information of the Compound
| Compound ID |
CP0534012
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| Compound Name |
6-chloro-N-[(3S,5S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-5-methylpyrrolidin-3-yl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C25H25ClFN3O3S
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| Molecular Weight |
502.011
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| Canonical SMILES |
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc2cc(Cl)ccc2c1
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| InChI |
InChI=1S/C25H25ClFN3O3S/c1-16-11-21(29-34(31,32)22-8-5-17-12-19(26)6-4-18(17)13-22)15-30(16)10-2-3-24-23-9-7-20(27)14-25(23)33-28-24/h4-9,12-14,16,21,29H,2-3,10-11,15H2,1H3/t16-,21-/m0/s1
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| InChIKey |
JMQUTFMPAXQIBI-KKSFZXQISA-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