General Information of the Compound
| Compound ID |
CP0440338
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| Compound Name |
CHEMBL1916242
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| Formula |
C20H21ClN4O2
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| Molecular Weight |
384.867
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| Canonical SMILES |
CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H21ClN4O2/c1-19(2)17(25-16(26)15-11-23-7-8-24-15)20(3,4)18(19)27-13-6-5-12(10-22)14(21)9-13/h5-9,11,17-18H,1-4H3,(H,25,26)/t17-,18-
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| InChIKey |
UJGHHBVDUKXUCV-IYARVYRRSA-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