General Information of the Compound
| Compound ID |
CP0402274
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| Compound Name |
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-4-methylpentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C46H56N6O4S2
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| Molecular Weight |
821.126
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| Canonical SMILES |
CC(C)C[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(C)C)NC(=O)C1CC1
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| InChI |
InChI=1S/C46H56N6O4S2/c1-27(2)23-35(49-41(53)33-17-18-33)45(55)51-21-5-7-37(51)43-47-25-39(57-43)31-13-9-29(10-14-31)30-11-15-32(16-12-30)40-26-48-44(58-40)38-8-6-22-52(38)46(56)36(24-28(3)4)50-42(54)34-19-20-34/h9-16,25-28,33-38H,5-8,17-24H2,1-4H3,(H,49,53)(H,50,54)/t35-,36-,37+,38+/m1/s1
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| InChIKey |
FYGNOLZHAFTYEY-RNATXAOGSA-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