General Information of the Compound
| Compound ID |
CP0433539
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| Compound Name |
tert-butyl 4-[5-[1-[(4-tert-butylphenyl)methylamino]-1-oxopropan-2-yl]-2-(methanesulfonamido)phenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C30H44N4O5S
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| Molecular Weight |
572.772
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(c1)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C30H44N4O5S/c1-21(27(35)31-20-22-9-12-24(13-10-22)29(2,3)4)23-11-14-25(32-40(8,37)38)26(19-23)33-15-17-34(18-16-33)28(36)39-30(5,6)7/h9-14,19,21,32H,15-18,20H2,1-8H3,(H,31,35)
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| InChIKey |
JXKITFISSUACPQ-UHFFFAOYSA-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