General Information of the Compound
| Compound ID |
CP0578920
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| Compound Name |
(2R)-N-[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]-2-[[(2R)-2-[[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C36H52N6O5
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| Molecular Weight |
648.849
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC1Cc2ccccc2C1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C36H52N6O5/c1-25(2)20-31(34(44)40-30(14-8-9-15-37)36(46)42-16-18-47-19-17-42)41-35(45)32(21-26-10-4-3-5-11-26)39-33(43)24-38-29-22-27-12-6-7-13-28(27)23-29/h3-7,10-13,25,29-32,38H,8-9,14-24,37H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)/t30-,31-,32-/m1/s1
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| InChIKey |
NHKRMNZAOJHYQE-XWHIBYANSA-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