General Information of the Compound
| Compound ID |
CP0494166
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| Compound Name |
CHEMBL4853155
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| Formula |
C22H25ClN6O2
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| Molecular Weight |
440.935
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc12
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| InChI |
InChI=1S/C22H25ClN6O2/c1-13(30)27-4-6-28(7-5-27)15-9-16(10-15)29-11-17(14-2-3-18(23)19(31)8-14)20-21(24)25-12-26-22(20)29/h2-3,8,11-12,15-16,31H,4-7,9-10H2,1H3,(H2,24,25,26)/t15-,16+
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| InChIKey |
HLOASMXRJBZZAG-IYBDPMFKSA-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