General Information of the Compound
| Compound ID |
CP0506047
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| Compound Name |
CHEMBL1914477
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| Formula |
C21H25ClN4O2
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| Molecular Weight |
400.91
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| Canonical SMILES |
Cc1cc(nn1C)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/C21H25ClN4O2/c1-12-9-16(25-26(12)6)17(27)24-18-20(2,3)19(21(18,4)5)28-14-8-7-13(11-23)15(22)10-14/h7-10,18-19H,1-6H3,(H,24,27)/t18-,19-
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| InChIKey |
LWPHEGPKWIUWHE-WGSAOQKQSA-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