General Information of the Compound
| Compound ID |
CP0180087
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| Compound Name |
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide
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| Structure |
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| Formula |
C21H19FN4O3
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| Molecular Weight |
394.406
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| Canonical SMILES |
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12
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| InChI |
InChI=1S/C21H19FN4O3/c22-11-15(27)12-23-21(29)19(10-14-6-2-1-3-7-14)25-20(28)17-13-24-26-18-9-5-4-8-16(17)18/h1-9,13,19H,10-12H2,(H,23,29)(H,25,28)/t19-/m0/s1
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| InChIKey |
JTZHZTGBVTUESQ-IBGZPJMESA-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