General Information of the Compound
Compound ID |
CP0539337
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Compound Name |
2-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-[4-(morpholine-4-carbonyl)anilino]-1,3-thiazole-5-carboxamide
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Structure |
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Formula |
C32H33N5O4S
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Molecular Weight |
583.714
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Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(s1)C(N)=O
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InChI |
InChI=1S/C32H33N5O4S/c1-32(2,3)23-11-7-20(8-12-23)29(39)35-25-6-4-5-22(19-25)30-36-28(26(42-30)27(33)38)34-24-13-9-21(10-14-24)31(40)37-15-17-41-18-16-37/h4-14,19,34H,15-18H2,1-3H3,(H2,33,38)(H,35,39)
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InChIKey |
VWAFRPRINKYKJN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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