General Information of the Compound
| Compound ID |
CP0376999
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| Compound Name |
N-(pyridin-4-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
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| Structure |
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| Formula |
C24H29N7
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| Molecular Weight |
415.545
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| Canonical SMILES |
C(CN1CCC(CC1)NCc1ccncc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C24H29N7/c1(11-30-12-7-21(8-13-30)26-15-19-5-9-25-10-6-19)2-20-16-27-24-4-3-22(14-23(20)24)31-17-28-29-18-31/h3-6,9-10,14,16-18,21,26-27H,1-2,7-8,11-13,15H2
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| InChIKey |
QWPVIERGHLZGFT-UHFFFAOYSA-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