General Information of the Compound
| Compound ID |
CP0546105
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(methylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
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| Formula |
C23H35N5O3
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| Molecular Weight |
429.565
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| Canonical SMILES |
CN[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C23H35N5O3/c1-14(29)25-18-13-15(24-5)9-10-19(18)28-12-11-17(22(28)31)27-21(30)16-7-6-8-20(26-16)23(2,3)4/h6-8,15,17-19,24H,9-13H2,1-5H3,(H,25,29)(H,27,30)/t15-,17+,18-,19+/m1/s1
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| InChIKey |
UFHKEAUDCSNIIR-LULLPPNCSA-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