General Information of the Compound
| Compound ID |
CP0869643
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| Compound Name |
methyl N-[(1S,2R)-2-hydroxy-1-[[(2S)-2-[6-[6-[2-[(2S)-1-[(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-naphthyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]amino]propyl]carbamate
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| Structure |
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| Formula |
C40H47N9O8
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| Molecular Weight |
781.871
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| Canonical SMILES |
COC(=O)N[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)[nH]5)ccc4c3)cc2[nH]1)[C@@H](C)O
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| InChI |
InChI=1S/C40H47N9O8/c1-21(50)33(45-39(54)56-3)37(52)48-15-5-7-31(48)35-41-20-30(44-35)27-12-11-23-17-24(9-10-25(23)18-27)26-13-14-28-29(19-26)43-36(42-28)32-8-6-16-49(32)38(53)46-34(22(2)51)47-40(55)57-4/h9-14,17-22,31-34,50-51H,5-8,15-16H2,1-4H3,(H,41,44)(H,42,43)(H,45,54)(H,46,53)(H,47,55)/t21-,22-,31+,32+,33+,34+/m1/s1
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| InChIKey |
NSBKGUXMULPRIR-WYTQEFFASA-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