General Information of the Compound
| Compound ID |
CP0532032
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| Compound Name |
tert-butyl 4-[methyl-[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 |
C24H33N5O4S
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| Molecular Weight |
487.626
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| Canonical SMILES |
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H33N5O4S/c1-24(2,3)33-23(30)28-11-9-18(10-12-28)27(4)21-15-22(26-16-25-21)29-13-8-17-14-19(34(5,31)32)6-7-20(17)29/h6-7,14-16,18H,8-13H2,1-5H3
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| InChIKey |
BDWMCRCCWFPXMC-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