General Information of the Compound
| Compound ID |
CP0415924
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| Compound Name |
tert-butyl N-[(1S)-2-methyl-1-[4-[[(1S)-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]propyl]carbamate
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| Structure |
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| Formula |
C30H41N5O7S2
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| Molecular Weight |
647.82
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| Canonical SMILES |
COc1cc(NC(=O)c2csc(n2)[C@@H](NC(=O)c2csc(n2)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc(OC)c1OC
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| InChI |
InChI=1S/C30H41N5O7S2/c1-15(2)22(34-26(37)19-14-44-28(33-19)23(16(3)4)35-29(38)42-30(5,6)7)27-32-18(13-43-27)25(36)31-17-11-20(39-8)24(41-10)21(12-17)40-9/h11-16,22-23H,1-10H3,(H,31,36)(H,34,37)(H,35,38)/t22-,23-/m0/s1
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| InChIKey |
SQGNMHONRVFIIQ-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