General Information of the Compound
| Compound ID |
CP0567478
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| Compound Name |
tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H31N5O4S
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| Molecular Weight |
473.599
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Nc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C23H31N5O4S/c1-23(2,3)32-22(29)27-10-8-17(9-11-27)26-20-14-21(25-15-24-20)28-12-7-16-13-18(33(4,30)31)5-6-19(16)28/h5-6,13-15,17H,7-12H2,1-4H3,(H,24,25,26)
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| InChIKey |
QVKLNBIURDBXIF-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