General Information of the Compound
| Compound ID |
CP0578921
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| Compound Name |
(3S)-N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Formula |
C35H50N6O5
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| Molecular Weight |
634.822
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H50N6O5/c1-24(2)20-30(33(43)38-28(14-8-9-15-36)35(45)41-16-18-46-19-17-41)39-34(44)31(21-25-10-4-3-5-11-25)40-32(42)29-22-26-12-6-7-13-27(26)23-37-29/h3-7,10-13,24,28-31,37H,8-9,14-23,36H2,1-2H3,(H,38,43)(H,39,44)(H,40,42)/t28-,29+,30-,31-/m1/s1
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| InChIKey |
WCNGSBQBKSOOGC-YXOGWZJSSA-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