General Information of the Compound
| Compound ID |
CP0415184
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| Compound Name |
N-[(1R)-1-(4-fluorophenyl)-2-methoxyethyl]-1-[3-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]propyl]piperidin-4-amine
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| Structure |
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| Formula |
C28H35FN6O
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| Molecular Weight |
490.627
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| Canonical SMILES |
COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H35FN6O/c1-36-18-28(22-5-7-24(29)8-6-22)33-25-10-13-34(14-11-25)12-2-3-23-16-31-27-9-4-21(15-26(23)27)17-35-20-30-19-32-35/h4-9,15-16,19-20,25,28,31,33H,2-3,10-14,17-18H2,1H3/t28-/m0/s1
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| InChIKey |
YSUFYQOHSFXSTE-NDEPHWFRSA-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