General Information of the Compound
| Compound ID |
CP0426262
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| Compound Name |
US9206173, 2456
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| Structure |
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| Formula |
C26H25F3N4O3
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| Molecular Weight |
498.505
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(C=C)cc1
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| InChI |
InChI=1S/C26H25F3N4O3/c1-4-17-5-7-19(8-6-17)23(34)32-14-13-22-21(15-32)24(35)33(36-3)25(31-22)30-16(2)18-9-11-20(12-10-18)26(27,28)29/h4-12,16H,1,13-15H2,2-3H3,(H,30,31)/t16-/m0/s1
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| InChIKey |
COKHVEHQEAGIOJ-INIZCTEOSA-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