General Information of the Compound
| Compound ID |
CP0572057
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| Compound Name |
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C19H22N6OS
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| Molecular Weight |
382.493
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ncccn3)nc12
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| InChI |
InChI=1S/C19H22N6OS/c1-14-4-2-5-15-17(14)23-19(27-15)22-16(26)6-9-24-10-12-25(13-11-24)18-20-7-3-8-21-18/h2-5,7-8H,6,9-13H2,1H3,(H,22,23,26)
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| InChIKey |
JAIDCXAXNMMWJI-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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT01449, P2X purinoceptor 7