General Information of the Compound
| Compound ID |
CP0313456
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| Compound Name |
US9163008, 15
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| Structure |
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| Formula |
C23H21FN4O4
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| Molecular Weight |
436.443
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| Canonical SMILES |
COC(=O)[C@@H]1CCCN1c1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
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| InChI |
InChI=1S/C23H21FN4O4/c1-31-23(30)19-3-2-12-28(19)20-13-18(21(25)29)26-22(27-20)14-4-8-16(9-5-14)32-17-10-6-15(24)7-11-17/h4-11,13,19H,2-3,12H2,1H3,(H2,25,29)/t19-/m0/s1
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| InChIKey |
QGRBLKXOJKNYBN-IBGZPJMESA-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