General Information of the Compound
| Compound ID |
CP0433246
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| Compound Name |
CHEMBL1916244
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| Formula |
C19H21ClN4O2
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| Molecular Weight |
372.856
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| Canonical SMILES |
CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C19H21ClN4O2/c1-18(2)16(24-15(25)12-9-22-23-10-12)19(3,4)17(18)26-13-6-5-11(8-21)14(20)7-13/h5-7,9-10,16-17H,1-4H3,(H,22,23)(H,24,25)/t16-,17-
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| InChIKey |
OXXAYEVCIGATTD-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