General Information of the Compound
| Compound ID |
CP0930993
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| Compound Name |
MethylN-[(1R)-2-[(2S)-2-{5-[4-(4-{2-[(2S)-1-[(2R)-2-[(Methoxycarbonyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-1Himidazol-5-yl}phenyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
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| Structure |
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| Formula |
C46H46N8O6
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| Molecular Weight |
806.924
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| Canonical SMILES |
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1
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| InChI |
InChI=1S/C46H46N8O6/c1-59-45(57)51-39(33-11-5-3-6-12-33)43(55)53-25-9-15-37(53)41-47-27-35(49-41)31-21-17-29(18-22-31)30-19-23-32(24-20-30)36-28-48-42(50-36)38-16-10-26-54(38)44(56)40(52-46(58)60-2)34-13-7-4-8-14-34/h3-8,11-14,17-24,27-28,37-40H,9-10,15-16,25-26H2,1-2H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t37-,38-,39+,40+/m0/s1
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| InChIKey |
XXYNKLCTNZTKRV-JPYDVTDNSA-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