General Information of the Compound
| Compound ID |
CP0402357
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| Compound Name |
Benzyl-methyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-2-ylmethyl}-amine
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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 |
CN(C[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-n1cnnc1)Cc1ccccc1
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| InChI |
InChI=1S/C25H30N6/c1-29(16-20-6-3-2-4-7-20)17-23-8-5-12-30(23)13-11-21-15-26-25-10-9-22(14-24(21)25)31-18-27-28-19-31/h2-4,6-7,9-10,14-15,18-19,23,26H,5,8,11-13,16-17H2,1H3/t23-/m0/s1
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| InChIKey |
DABOBNYSAYZCKM-QHCPKHFHSA-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