General Information of the Compound
| Compound ID |
CP0946300
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| Compound Name |
methyl N-[(1S)-1-[[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-naphthyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrrolidine-1-carbonyl]amino]-2-methyl-propyl]carbamate
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| Structure |
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| Formula |
C41H50N10O6
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| Molecular Weight |
778.915
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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(C)C)[nH]5)ccc4c3)nc2[nH]1)C(C)C
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| InChI |
InChI=1S/C41H50N10O6/c1-22(2)33(46-40(54)56-5)38(52)50-17-7-9-31(50)36-42-21-30(45-36)27-14-12-24-19-26(13-11-25(24)20-27)28-15-16-29-35(43-28)47-37(44-29)32-10-8-18-51(32)39(53)48-34(23(3)4)49-41(55)57-6/h11-16,19-23,31-34H,7-10,17-18H2,1-6H3,(H,42,45)(H,46,54)(H,48,53)(H,49,55)(H,43,44,47)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
FQEQDYKVBZDKDA-CUPIEXAXSA-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