General Information of the Compound
| Compound ID |
CP0912324
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| Compound Name |
methyl N-[(1S)-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]-2-methyl-propyl]carbamate
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| Structure |
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| Formula |
C42H51N9O7
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| Molecular Weight |
793.926
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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(C)C
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| InChI |
InChI=1S/C42H51N9O7/c1-23(2)36(49-42(55)58-6)48-40(53)51-18-8-10-34(51)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-50(33)39(52)35(24(3)56-4)47-41(54)57-5/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)/t24-,33+,34+,35+,36+/m1/s1
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| InChIKey |
KJFQKOHQJZIBME-CVSAGBRJSA-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