General Information of the Compound
| Compound ID |
CP0415925
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| Compound Name |
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
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| Structure |
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| Formula |
C29H39N5O6S2
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| Molecular Weight |
617.794
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| Canonical SMILES |
COc1ccc(NC(=O)c2csc(n2)[C@@H](NC(=O)c2csc(n2)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)c(OC)c1
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| InChI |
InChI=1S/C29H39N5O6S2/c1-15(2)22(26-31-19(13-41-26)24(35)30-18-11-10-17(38-8)12-21(18)39-9)33-25(36)20-14-42-27(32-20)23(16(3)4)34-28(37)40-29(5,6)7/h10-16,22-23H,1-9H3,(H,30,35)(H,33,36)(H,34,37)/t22-,23-/m0/s1
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| InChIKey |
CAYVPUSHFHKNMI-GOTSBHOMSA-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