General Information of the Compound
| Compound ID |
CP0535194
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| Compound Name |
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(propanoylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
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| Structure |
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| Formula |
C48H48N6O4S2
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| Molecular Weight |
837.084
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| Canonical SMILES |
CCC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)CC)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C48H48N6O4S2/c1-3-41(55)51-43(35-13-7-5-8-14-35)47(57)53-27-11-17-37(53)45-49-29-39(59-45)33-23-19-31(20-24-33)32-21-25-34(26-22-32)40-30-50-46(60-40)38-18-12-28-54(38)48(58)44(52-42(56)4-2)36-15-9-6-10-16-36/h5-10,13-16,19-26,29-30,37-38,43-44H,3-4,11-12,17-18,27-28H2,1-2H3,(H,51,55)(H,52,56)/t37-,38-,43+,44+/m0/s1
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| InChIKey |
VEZYQJDYBBBRHH-KMMOYCCRSA-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