General Information of the Compound
| Compound ID |
CP0542227
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| Compound Name |
US9206173, 2409
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| Structure |
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| Formula |
C27H24ClF3N4O2
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| Molecular Weight |
528.962
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| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H24ClF3N4O2/c1-3-4-14-35-25(37)22-16-34(24(36)19-7-11-21(28)12-8-19)15-13-23(22)33-26(35)32-17(2)18-5-9-20(10-6-18)27(29,30)31/h5-12,17H,13-16H2,1-2H3,(H,32,33)/t17-/m0/s1
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| InChIKey |
QLXSZTKJEPKLTH-KRWDZBQOSA-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