General Information of the Compound
| Compound ID |
CP0549792
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| Compound Name |
3-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C20H31N5OS
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| Molecular Weight |
389.569
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| Canonical SMILES |
CN(C)CCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C20H31N5OS/c1-16-6-4-7-17-19(16)22-20(27-17)21-18(26)8-11-25-14-12-24(13-15-25)10-5-9-23(2)3/h4,6-7H,5,8-15H2,1-3H3,(H,21,22,26)
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| InChIKey |
IRQIUGGXEPXXJY-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