General Information of the Compound
| Compound ID |
CP0576607
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| Compound Name |
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
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| Formula |
C20H23N5OS
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| Molecular Weight |
381.505
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccccn3)nc12
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| InChI |
InChI=1S/C20H23N5OS/c1-15-5-4-6-16-19(15)23-20(27-16)22-18(26)8-10-24-11-13-25(14-12-24)17-7-2-3-9-21-17/h2-7,9H,8,10-14H2,1H3,(H,22,23,26)
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| InChIKey |
HKQICQOKDDYTSK-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