General Information of the Compound
| Compound ID |
CP0524465
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| Compound Name |
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[1-(4-methoxyphenyl)ethylcarbamoyl]-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 |
C30H41N5O5S2
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| Molecular Weight |
615.822
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| Canonical SMILES |
COc1ccc(cc1)C(C)NC(=O)c1csc(n1)[C@@H](NC(=O)c1csc(n1)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
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| InChI |
InChI=1S/C30H41N5O5S2/c1-16(2)23(27-32-21(14-41-27)25(36)31-18(5)19-10-12-20(39-9)13-11-19)34-26(37)22-15-42-28(33-22)24(17(3)4)35-29(38)40-30(6,7)8/h10-18,23-24H,1-9H3,(H,31,36)(H,34,37)(H,35,38)/t18?,23-,24-/m0/s1
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| InChIKey |
VYMGRTVYMLFJRF-JUQRWGLSSA-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