General Information of the Compound
| Compound ID |
CP0398698
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-1,2-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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| InChI |
InChI=1S/C23H24N4O3/c1-15-20-12-18(7-8-21(20)30-27-15)17-5-3-16(4-6-17)11-19(13-24)26-23(28)22-14-25-9-2-10-29-22/h3-8,12,19,22,25H,2,9-11,14H2,1H3,(H,26,28)/t19-,22-/m0/s1
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| InChIKey |
QCTYSVBOKIUUFU-UGKGYDQZSA-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