General Information of the Compound
| Compound ID |
CP0447958
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| Compound Name |
N-[4-[[[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methylamino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C26H31N7O
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| Molecular Weight |
457.582
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| Canonical SMILES |
CC(=O)Nc1ccc(CNC[C@@H]2CCN(CCc3c[nH]c4ccc(cc34)-n3cnnc3)C2)cc1
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| InChI |
InChI=1S/C26H31N7O/c1-19(34)31-23-4-2-20(3-5-23)13-27-14-21-8-10-32(16-21)11-9-22-15-28-26-7-6-24(12-25(22)26)33-17-29-30-18-33/h2-7,12,15,17-18,21,27-28H,8-11,13-14,16H2,1H3,(H,31,34)/t21-/m0/s1
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| InChIKey |
ZDIROZZUYKRUKS-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