General Information of the Compound
| Compound ID |
CP0400442
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| Compound Name |
US8637501, 71
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| Structure |
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| Formula |
C26H25F3N4O2
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| Molecular Weight |
482.506
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| Canonical SMILES |
CN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C26H25F3N4O2/c1-31-10-3-4-22-21(15-31)20-7-6-18(12-23(20)32(22)2)33-11-9-19(13-25(33)34)35-16-17-5-8-24(30-14-17)26(27,28)29/h5-9,11-14H,3-4,10,15-16H2,1-2H3
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| InChIKey |
NRTTWBVDHOLXBR-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