General Information of the Compound
| Compound ID |
CP0382231
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| Compound Name |
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-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 |
C30H41N5O6S2
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| Molecular Weight |
631.821
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| Canonical SMILES |
COc1ccc(CNC(=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/C30H41N5O6S2/c1-16(2)23(27-32-20(14-42-27)25(36)31-13-18-10-11-19(39-8)12-22(18)40-9)34-26(37)21-15-43-28(33-21)24(17(3)4)35-29(38)41-30(5,6)7/h10-12,14-17,23-24H,13H2,1-9H3,(H,31,36)(H,34,37)(H,35,38)/t23-,24-/m0/s1
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| InChIKey |
VRRVKYGPIOCODO-ZEQRLZLVSA-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