General Information of the Compound
| Compound ID |
CP0561765
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| Compound Name |
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)butanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C42H48N6O4S2
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| Molecular Weight |
765.018
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| Canonical SMILES |
CC[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@@H](CC)NC(=O)C1CC1
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| InChI |
InChI=1S/C42H48N6O4S2/c1-3-31(45-37(49)29-17-18-29)41(51)47-21-5-7-33(47)39-43-23-35(53-39)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36-24-44-40(54-36)34-8-6-22-48(34)42(52)32(4-2)46-38(50)30-19-20-30/h9-16,23-24,29-34H,3-8,17-22H2,1-2H3,(H,45,49)(H,46,50)/t31-,32-,33+,34+/m1/s1
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| InChIKey |
OKHCHBUXQYZLLL-WZJLIZBTSA-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