General Information of the Compound
| Compound ID |
CP0574091
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| Compound Name |
US9278960, 4-134
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| Structure |
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| Formula |
C23H26F3N5O2
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| Molecular Weight |
461.488
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2c(C)nn(C)c2C)C[C@@H](O1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N5O2/c1-12-9-31(11-20(33-12)23(24,25)26)10-15-5-6-16-17(21-13(2)29-30(4)14(21)3)8-19(22(27)32)28-18(16)7-15/h5-8,12,20H,9-11H2,1-4H3,(H2,27,32)/t12-,20-/m1/s1
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| InChIKey |
XEDZLCTZUWDCPR-MPBGBICISA-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