General Information of the Compound
| Compound ID |
CP0442688
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| Compound Name |
N-(pyridin-4-ylmethyl)-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
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| Structure |
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| Formula |
C23H27N7
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| Molecular Weight |
401.518
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccncc2)C1
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| InChI |
InChI=1S/C23H27N7/c1-2-23-22(11-21(1)30-16-27-28-17-30)20(14-26-23)6-10-29-9-5-19(15-29)13-25-12-18-3-7-24-8-4-18/h1-4,7-8,11,14,16-17,19,25-26H,5-6,9-10,12-13,15H2/t19-/m0/s1
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| InChIKey |
ZTDYUDNKAHGYSQ-IBGZPJMESA-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