General Information of the Compound
| Compound ID |
CP0508485
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| Compound Name |
CHEMBL3947032
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| Formula |
C24H23ClF4N4O3
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| Molecular Weight |
526.918
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| Canonical SMILES |
Fc1cccc(Cl)c1Nc1nc2cc(C(=O)NC[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C24H23ClF4N4O3/c25-15-2-1-3-16(26)18(15)32-23-31-17-10-14(20-21(19(17)33-23)36-9-8-35-20)22(34)30-11-12-4-6-13(7-5-12)24(27,28)29/h1-3,10,12-13H,4-9,11H2,(H,30,34)(H2,31,32,33)/t12-,13-
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| InChIKey |
OYQPCSNNINCWAO-JOCQHMNTSA-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