General Information of the Compound
| Compound ID |
CP0340511
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| Compound Name |
CHEMBL219575
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| Formula |
C24H27ClN4O3
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| Molecular Weight |
454.958
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1
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| InChI |
InChI=1S/C24H27ClN4O3/c1-23(2,32-17-5-3-16(25)4-6-17)21(30)29-19-14-7-13-8-15(19)11-24(9-13,10-14)22-28-18(12-26)20(27)31-22/h3-6,13-15,19H,7-11,27H2,1-2H3,(H,29,30)/t13-,14-,15?,19+,24+/m0/s1
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| InChIKey |
GTHCHCGWMUMNIC-QYZWLEAQSA-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