General Information of the Compound
| Compound ID |
CP0563444
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| Compound Name |
US9428460, 29
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| Formula |
C23H19ClFN3O2
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| Molecular Weight |
423.875
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| Canonical SMILES |
Fc1cc(ccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N
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| InChI |
InChI=1S/C23H19ClFN3O2/c24-19-9-4-14(12-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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| InChIKey |
YVOIFCKRNYSADD-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