General Information of the Compound
| Compound ID |
CP0576043
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| Compound Name |
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide
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| Structure |
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| Formula |
C20H28N4O2S
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| Molecular Weight |
388.537
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCO4)CC3)nc12
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| InChI |
InChI=1S/C20H28N4O2S/c1-15-4-2-6-17-19(15)22-20(27-17)21-18(25)7-8-23-9-11-24(12-10-23)14-16-5-3-13-26-16/h2,4,6,16H,3,5,7-14H2,1H3,(H,21,22,25)
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| InChIKey |
NXPVMNJFZMAIML-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