General Information of the Compound
| Compound ID |
CP0395348
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| Compound Name |
4-{[(Pyridin-2-ylmethyl)-amino]-methyl}-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
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| Structure |
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| Formula |
C25H31N7O
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| Molecular Weight |
445.571
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| Canonical SMILES |
OC1(CNCc2ccccn2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C25H31N7O/c33-25(17-26-16-21-5-1-2-10-27-21)8-12-31(13-9-25)11-3-4-20-15-28-24-7-6-22(14-23(20)24)32-18-29-30-19-32/h1-2,5-7,10,14-15,18-19,26,28,33H,3-4,8-9,11-13,16-17H2
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| InChIKey |
PUWRXPQTSPCWGI-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