General Information of the Compound
| Compound ID |
CP0327065
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| Compound Name |
2-phenyl-N-[[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]ethanamine
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| Structure |
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| Formula |
C25H30N6
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| Molecular Weight |
414.557
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| Canonical SMILES |
C(Cc1ccccc1)NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
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| InChI |
InChI=1S/C25H30N6/c1-2-4-20(5-3-1)8-11-26-15-21-9-12-30(17-21)13-10-22-16-27-25-7-6-23(14-24(22)25)31-18-28-29-19-31/h1-7,14,16,18-19,21,26-27H,8-13,15,17H2/t21-/m0/s1
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| InChIKey |
YBPOESBQEVHYKW-NRFANRHFSA-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