General Information of the Compound
| Compound ID |
CP0376344
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| Compound Name |
N-[4-[[[4-hydroxy-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methylamino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H35N7O2
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| Molecular Weight |
501.635
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| Canonical SMILES |
CC(=O)Nc1ccc(CNCC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
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| InChI |
InChI=1S/C28H35N7O2/c1-21(36)33-24-6-4-22(5-7-24)16-29-18-28(37)10-13-34(14-11-28)12-2-3-23-17-30-27-9-8-25(15-26(23)27)35-19-31-32-20-35/h4-9,15,17,19-20,29-30,37H,2-3,10-14,16,18H2,1H3,(H,33,36)
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| InChIKey |
QHSQQOSVPLHIRM-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