General Information of the Compound
| Compound ID |
CP0048199
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]morpholine-2-carboxamide
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C21H20N4O2/c22-12-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(13-23)25-21(26)20-14-24-9-10-27-20/h1-8,19-20,24H,9-11,14H2,(H,25,26)/t19-,20-/m0/s1
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| InChIKey |
RRHRRYYDUYYNPP-PMACEKPBSA-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