General Information of the Compound
| Compound ID |
CP0896994
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| Compound Name |
methyl N-[(1S)-1-[[(2S)-2-[6-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-naphthyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]amino]-2-methyl-propyl]carbamate
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| Structure |
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| Formula |
C42H51N9O6
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| Molecular Weight |
777.927
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| Canonical SMILES |
COC(=O)N[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(-c3cccc4c(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cccc34)cc2[nH]1)C(C)C
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| InChI |
InChI=1S/C42H51N9O6/c1-23(2)35(47-41(54)56-5)39(52)50-19-9-15-33(50)37-43-22-32(46-37)29-14-8-12-27-26(11-7-13-28(27)29)25-17-18-30-31(21-25)45-38(44-30)34-16-10-20-51(34)40(53)48-36(24(3)4)49-42(55)57-6/h7-8,11-14,17-18,21-24,33-36H,9-10,15-16,19-20H2,1-6H3,(H,43,46)(H,44,45)(H,47,54)(H,48,53)(H,49,55)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
DOPMTUHMWRSUDN-ZYADHFCISA-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