General Information of the Compound
| Compound ID |
CP0510369
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C26H31FN4O2S
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| Molecular Weight |
482.625
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| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
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| InChI |
InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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| InChIKey |
VFUQKLHANIZIQH-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7