General Information of the Compound
| Compound ID |
CP0489053
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| Compound Name |
tert-butyl 4-[methyl-[7-[4-(phenylmethoxycarbamoyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H35N5O4S
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| Molecular Weight |
573.719
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| Canonical SMILES |
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1)C(=O)NOCc1ccccc1
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| InChI |
InChI=1S/C31H35N5O4S/c1-31(2,3)40-30(38)36-16-14-24(15-17-36)35(4)28-27-26(32-20-33-28)25(19-41-27)22-10-12-23(13-11-22)29(37)34-39-18-21-8-6-5-7-9-21/h5-13,19-20,24H,14-18H2,1-4H3,(H,34,37)
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| InChIKey |
JIGJYALPBATMDQ-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