General Information of the Compound
| Compound ID |
CP0434257
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| Compound Name |
N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
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| Structure |
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| Formula |
C46H44N6O4S2
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| Molecular Weight |
809.03
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| Canonical SMILES |
CC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(C)=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C46H44N6O4S2/c1-29(53)49-41(35-11-5-3-6-12-35)45(55)51-25-9-15-37(51)43-47-27-39(57-43)33-21-17-31(18-22-33)32-19-23-34(24-20-32)40-28-48-44(58-40)38-16-10-26-52(38)46(56)42(50-30(2)54)36-13-7-4-8-14-36/h3-8,11-14,17-24,27-28,37-38,41-42H,9-10,15-16,25-26H2,1-2H3,(H,49,53)(H,50,54)/t37-,38-,41+,42+/m0/s1
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| InChIKey |
XJFYKQGOQBBVJC-WZIOGPPVSA-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