General Information of the Compound
| Compound ID |
CP0508887
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| Compound Name |
1-Methyl-3-phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-urea
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| Structure |
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| Formula |
C26H31N7O
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| Molecular Weight |
457.582
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| Canonical SMILES |
CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C26H31N7O/c1-31(26(34)30-21-7-3-2-4-8-21)22-11-14-32(15-12-22)13-5-6-20-17-27-25-10-9-23(16-24(20)25)33-18-28-29-19-33/h2-4,7-10,16-19,22,27H,5-6,11-15H2,1H3,(H,30,34)
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| InChIKey |
DFAFGKSNYKCGTB-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D