General Information of the Compound
| Compound ID |
CP0440607
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| Compound Name |
ethyl 2-[(1S)-1-[[2-[(1S)-1-[(3,4-dimethoxybenzoyl)amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylate
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| Structure |
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| Formula |
C27H34N4O6S2
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| Molecular Weight |
574.725
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| Canonical SMILES |
CCOC(=O)c1csc(n1)[C@@H](NC(=O)c1csc(n1)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(C)C)C(C)C
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| InChI |
InChI=1S/C27H34N4O6S2/c1-8-37-27(34)18-13-39-26(29-18)22(15(4)5)31-24(33)17-12-38-25(28-17)21(14(2)3)30-23(32)16-9-10-19(35-6)20(11-16)36-7/h9-15,21-22H,8H2,1-7H3,(H,30,32)(H,31,33)/t21-,22-/m0/s1
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| InChIKey |
NFJKXBNPYJGZJL-VXKWHMMOSA-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