General Information of the Compound
| Compound ID |
CP0864767
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| Compound Name |
10-{3-[4-(2-Fluoro-phenyl)-piperazine-1-carbonyl]-phenyl}-6-methoxy-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-trien-11-one
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| Structure |
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| Formula |
C29H29FN4O4
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| Molecular Weight |
516.573
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| Canonical SMILES |
COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1
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| InChI |
InChI=1S/C29H29FN4O4/c1-29-18-23(21-9-6-12-25(37-2)26(21)38-29)31-28(36)34(29)20-8-5-7-19(17-20)27(35)33-15-13-32(14-16-33)24-11-4-3-10-22(24)30/h3-12,17,23H,13-16,18H2,1-2H3,(H,31,36)
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| InChIKey |
WUSVDRAQPOUFJE-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