General Information of the Compound
| Compound ID |
CP0437770
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| Compound Name |
4-[(Cyclopropylmethyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
OC1(CNCC2CC2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C23H32N6O/c30-23(15-24-13-18-3-4-18)7-10-28(11-8-23)9-1-2-19-14-25-22-6-5-20(12-21(19)22)29-16-26-27-17-29/h5-6,12,14,16-18,24-25,30H,1-4,7-11,13,15H2
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| InChIKey |
NFKBTQGLVYZHDA-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