General Information of the Compound
| Compound ID |
CP0452687
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| Compound Name |
2-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-(4-morpholin-4-ylanilino)-N-propan-2-yl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C34H39N5O3S
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| Molecular Weight |
597.785
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| Canonical SMILES |
CC(C)NC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
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| InChI |
InChI=1S/C34H39N5O3S/c1-22(2)35-32(41)29-30(36-26-13-15-28(16-14-26)39-17-19-42-20-18-39)38-33(43-29)24-7-6-8-27(21-24)37-31(40)23-9-11-25(12-10-23)34(3,4)5/h6-16,21-22,36H,17-20H2,1-5H3,(H,35,41)(H,37,40)
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| InChIKey |
ZXJIJNHXMGZWCG-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