General Information of the Compound
| Compound ID |
CP0497099
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| Compound Name |
CHEMBL583007
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| Formula |
C23H19FN4O3
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| Molecular Weight |
418.428
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| Canonical SMILES |
Fc1ccc(cc1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1
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| InChI |
InChI=1S/C23H19FN4O3/c24-17-3-1-14(2-4-17)16-11-26-22(27-12-16)28-20(29)15-5-8-23(9-6-15)19-7-10-25-13-18(19)21(30)31-23/h1-4,7,10-13,15H,5-6,8-9H2,(H,26,27,28,29)/t15-,23-
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| InChIKey |
IBTHHRGURYDPKM-CWSKOGRWSA-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