General Information of the Compound
| Compound ID |
CP0869649
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| Compound Name |
methyl N-[(1S,2R)-2-methoxy-1-[[(2S)-2-[6-[6-[2-[(2S)-1-[(2S,3R)-3-methoxy-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 |
C42H51N9O8
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| Molecular Weight |
809.925
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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)OC)[nH]5)ccc4c3)cc2[nH]1)[C@@H](C)OC
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| InChI |
InChI=1S/C42H51N9O8/c1-23(56-3)35(47-41(54)58-5)39(52)50-17-7-9-33(50)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-51(34)40(53)48-36(24(2)57-4)49-42(55)59-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,54)(H,48,53)(H,49,55)/t23-,24-,33+,34+,35+,36+/m1/s1
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| InChIKey |
OENBJFIBLNPMOE-OYDNEJTASA-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