General Information of the Compound
| Compound ID |
CP0568425
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| Compound Name |
tert-butyl 4-[ethyl-[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 |
C25H35N5O4S
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| Molecular Weight |
501.653
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| Canonical SMILES |
CCN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C25H35N5O4S/c1-6-29(19-10-12-28(13-11-19)24(31)34-25(2,3)4)22-16-23(27-17-26-22)30-14-9-18-15-20(35(5,32)33)7-8-21(18)30/h7-8,15-17,19H,6,9-14H2,1-5H3
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| InChIKey |
YKOHCRNXFVEHEL-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