General Information of the Compound
| Compound ID |
CP0559520
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| Compound Name |
tert-butyl 4-[2-methoxyethyl-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
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| Formula |
C26H37N5O5S
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| Molecular Weight |
531.679
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| Canonical SMILES |
COCCN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H37N5O5S/c1-26(2,3)36-25(32)29-11-9-20(10-12-29)30(14-15-35-4)23-17-24(28-18-27-23)31-13-8-19-16-21(37(5,33)34)6-7-22(19)31/h6-7,16-18,20H,8-15H2,1-5H3
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| InChIKey |
HTYWQJMNYWMUKO-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