General Information of the Compound
| Compound ID |
CP0529296
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| Compound Name |
US8637501, 74
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| Structure |
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| Formula |
C26H31FN4O
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| Molecular Weight |
434.559
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| Canonical SMILES |
CN1CCCc2c(C1)c1ccc(cc1n2C)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C26H31FN4O/c1-28-12-3-4-24-23(17-28)22-10-9-21(16-25(22)29(24)2)31-15-14-30(18-26(31)32)13-11-19-5-7-20(27)8-6-19/h5-10,16H,3-4,11-15,17-18H2,1-2H3
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| InChIKey |
HBEIHEKKJKFVGS-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