General Information of the Compound
| Compound ID |
CP0716507
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| Compound Name |
N-[[1-[3-(Dimethylamino)propyl]-4-piperidinyl]methyl]-1-isopropyl-1H-indazole-3-carboxamide maleate
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| Structure |
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| Formula |
C26H39N5O5
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| Molecular Weight |
501.628
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| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc21.O=C(O)/C=C\C(=O)O
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| InChI |
InChI=1S/C22H35N5O.C4H4O4/c1-17(2)27-20-9-6-5-8-19(20)21(24-27)22(28)23-16-18-10-14-26(15-11-18)13-7-12-25(3)4;5-3(6)1-2-4(7)8/h5-6,8-9,17-18H,7,10-16H2,1-4H3,(H,23,28);1-2H,(H,5,6)(H,7,8)/b;2-1-
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| InChIKey |
KJHSDDSYYXKLOK-BTJKTKAUSA-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