General Information of the Compound
| Compound ID |
CP0155961
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| Compound Name |
N-[2-[(2S,4S)-4-azido-2-cyanopyrrolidin-1-yl]-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C14H14N6O2
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| Molecular Weight |
298.306
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| Canonical SMILES |
[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1
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| InChI |
InChI=1S/C14H14N6O2/c15-7-12-6-11(18-19-16)9-20(12)13(21)8-17-14(22)10-4-2-1-3-5-10/h1-5,11-12H,6,8-9H2,(H,17,22)/t11-,12-/m0/s1
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| InChIKey |
IEKVJTRASXFLGU-RYUDHWBXSA-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