General Information of the Compound
| Compound ID |
CP0555763
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
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| Structure |
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| Formula |
C26H41N5O3
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| Molecular Weight |
471.646
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| Canonical SMILES |
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O)NC(C)(C)C
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| InChI |
InChI=1S/C26H41N5O3/c1-16(32)27-20-15-17(30-26(5,6)7)11-12-21(20)31-14-13-19(24(31)34)29-23(33)18-9-8-10-22(28-18)25(2,3)4/h8-10,17,19-21,30H,11-15H2,1-7H3,(H,27,32)(H,29,33)/t17-,19+,20-,21+/m1/s1
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| InChIKey |
SNVMTABEFLKIEG-PMXSJFBMSA-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