General Information of the Compound
| Compound ID |
CP0459011
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| Compound Name |
CHEMBL1916246
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| Formula |
C19H21ClN4O3
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| Molecular Weight |
388.855
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| Canonical SMILES |
Cc1nnc(o1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C
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| InChI |
InChI=1S/C19H21ClN4O3/c1-10-23-24-15(26-10)14(25)22-16-18(2,3)17(19(16,4)5)27-12-7-6-11(9-21)13(20)8-12/h6-8,16-17H,1-5H3,(H,22,25)/t16-,17-
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| InChIKey |
KQSSBUAGCHWZQA-QAQDUYKDSA-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