General Information of the Compound
| Compound ID |
CP0459141
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| Compound Name |
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C21H21N7OS
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| Molecular Weight |
419.514
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| Canonical SMILES |
Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1
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| InChI |
InChI=1S/C21H21N7OS/c1-14-25-17-10-16(5-6-18(17)30-14)26-21(29)15-4-2-8-27(12-15)19-11-20(23-13-22-19)28-9-3-7-24-28/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,26,29)
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| InChIKey |
YVMMSDYPZRTEQW-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1