General Information of the Compound
| Compound ID |
CP0489058
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| Compound Name |
tert-butyl 4-[[7-[4-[methoxy(methyl)carbamoyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H33N5O4S
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| Molecular Weight |
511.648
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| Canonical SMILES |
CON(C)C(=O)c1ccc(cc1)-c1csc2c(ncnc12)N(C)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H33N5O4S/c1-26(2,3)35-25(33)31-13-11-19(12-14-31)29(4)23-22-21(27-16-28-23)20(15-36-22)17-7-9-18(10-8-17)24(32)30(5)34-6/h7-10,15-16,19H,11-14H2,1-6H3
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| InChIKey |
VFHGAHLILSMBQV-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