General Information of the Compound
| Compound ID |
CP0156622
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| Compound Name |
4-amino-N-[(1S)-1-cyano-2-[4-(2-methyl-3-oxo-1H-isoindol-5-yl)phenyl]ethyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1
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| InChI |
InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1
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| InChIKey |
ALYPEORYGVOPDI-FQEVSTJZSA-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