General Information of the Compound
| Compound ID |
CP0961371
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| Compound Name |
US9187424, 210
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| Structure |
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| Formula |
C27H25F6N5O2
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| Molecular Weight |
565.518
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3c(c2)CCCC3)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C27H25F6N5O2/c28-26(29,30)12-3-13-40-20-10-8-19(9-11-20)25(27(31,32)33)15-21(22(24(39)34-25)23-35-37-38-36-23)18-7-6-16-4-1-2-5-17(16)14-18/h6-11,14H,1-5,12-13,15H2,(H,34,39)(H,35,36,37,38)
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| InChIKey |
WTTWTRGCHIMLAG-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