General Information of the Compound
| Compound ID |
CP0188497
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| Compound Name |
US8815840, 145
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| Structure |
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| Formula |
C25H22FN3O4
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| Molecular Weight |
447.466
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| Canonical SMILES |
COc1ccc(cc1F)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H22FN3O4/c1-32-22-5-3-14(12-20(22)26)16-10-18-17-4-2-15(25(31)29-6-8-33-9-7-29)13-21(17)28-23(18)19(11-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
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| InChIKey |
ZVDHBUJUOUONPH-UHFFFAOYSA-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