General Information of the Compound
| Compound ID |
CP0401792
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| Compound Name |
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-2-(4-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexan-2-yl]carbamate
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| Structure |
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| Formula |
C40H50N4O6
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| Molecular Weight |
682.862
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| Canonical SMILES |
CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C40H50N4O6/c1-28(45)22-23-36(46)44-27-32-20-12-11-19-31(32)25-35(44)38(48)41-24-14-13-21-34(43-39(49)50-40(2,3)4)37(47)42-26-33(29-15-7-5-8-16-29)30-17-9-6-10-18-30/h5-12,15-20,33-35H,13-14,21-27H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t34-,35-/m0/s1
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| InChIKey |
UJRRHQYMLQNIBY-PXLJZGITSA-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