General Information of the Compound
| Compound ID |
CP0449810
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| Compound Name |
(1S)-N-methyl-1-phenyl-N-[[(3R)-1-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C27H34N6
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| Molecular Weight |
442.611
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| Canonical SMILES |
C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
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| InChI |
InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/m0/s1
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| InChIKey |
QYMZFCVJJRAAID-GMAHTHKFSA-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