General Information of the Compound
| Compound ID |
CP0778940
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| Compound Name |
N-[[1-[2-(4-Aminophenyl)ethyl]-4-piperidinyl]methyl]-1-isopropyl-1H-indazole-3-carboxamide dihydrochloride
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| Structure |
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| Formula |
C25H35Cl2N5O
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| Molecular Weight |
492.495
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| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc21.Cl.Cl
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| InChI |
InChI=1S/C25H33N5O.2ClH/c1-18(2)30-23-6-4-3-5-22(23)24(28-30)25(31)27-17-20-12-15-29(16-13-20)14-11-19-7-9-21(26)10-8-19;;/h3-10,18,20H,11-17,26H2,1-2H3,(H,27,31);2*1H
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| InChIKey |
GQWVZJZTFLZZCU-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4