General Information of the Compound
| Compound ID |
CP0917665
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| Compound Name |
1-Isopropyl-N-[[1-[2-(4-nitrophenyl)ethyl]-4-piperidinyl]methyl]-1H-indazole-3-carboxamide oxalate
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| Structure |
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| Formula |
C27H33N5O7
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| Molecular Weight |
539.589
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| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H31N5O3.C2H2O4/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(10-8-19)30(32)33;3-1(4)2(5)6/h3-10,18,20H,11-17H2,1-2H3,(H,26,31);(H,3,4)(H,5,6)
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| InChIKey |
NHONGKFTCAOORL-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