General Information of the Compound
| Compound ID |
CP0041787
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| Compound Name |
(2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propionic acid tert-butyl ester
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| Structure |
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| Formula |
C24H33N5O6
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| Molecular Weight |
487.557
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| Canonical SMILES |
C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H33N5O6/c1-14(21(32)34-23(2,3)4)28-19(30)17-18(27-13-26-17)20(31)29-16-10-8-15(9-11-16)12-25-22(33)35-24(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,25,33)(H,26,27)(H,28,30)(H,29,31)/t14-/m0/s1
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| InChIKey |
LYCSQYGDKXPKPY-AWEZNQCLSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3