General Information of the Compound
| Compound ID |
CP0882940
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| Compound Name |
Z-(7R,7aR)-3-(3-chloro-4-cyano-2-methyl-phenylimino)-7-hydroxytetrahydropyrrolo[1,2-c]imidazole-2-carboxylic acid amide
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| Formula |
C15H16ClN5O2
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| Molecular Weight |
333.779
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| Canonical SMILES |
Cc1c(/N=C2\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl
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| InChI |
InChI=1S/C15H16ClN5O2/c1-8-10(3-2-9(6-17)13(8)16)19-15-20-5-4-12(22)11(20)7-21(15)14(18)23/h2-3,11-12,22H,4-5,7H2,1H3,(H2,18,23)/b19-15-/t11-,12-/m1/s1
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| InChIKey |
HTRWURBNWYFPJF-PQXDSQRDSA-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