General Information of the Compound
| Compound ID |
CP0550972
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| Compound Name |
US8618303, 17
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| Structure |
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| Formula |
C29H26ClFN4O4
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| Molecular Weight |
549.002
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1noc(C)n1
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| InChI |
InChI=1S/C29H26ClFN4O4/c1-18-32-26(33-39-18)20-4-6-21(7-5-20)27(36)35-16-25(19-8-10-22(30)11-9-19)29(2,17-35)34(3)28(37)38-24-14-12-23(31)13-15-24/h4-15,25H,16-17H2,1-3H3/t25-,29+/m1/s1
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| InChIKey |
NJOMPEOMOUNGRE-IRPSRAIASA-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