General Information of the Compound
| Compound ID |
CP0415084
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| Compound Name |
(S)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amino)-2-phenyl-ethanol
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| Structure |
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| Formula |
C27H34N6O
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| Molecular Weight |
458.61
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| Canonical SMILES |
CN([C@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m1/s1
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| InChIKey |
NMBJRUZFPZJMHR-HHHXNRCGSA-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