General Information of the Compound
| Compound ID |
CP0414275
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| Compound Name |
US9206173, 2444
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| Structure |
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| Formula |
C28H25F3N4O4
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| Molecular Weight |
538.526
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| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H25F3N4O4/c1-3-4-12-35-26(37)21-15-34(25(36)19-7-10-23-24(14-19)39-16-38-23)13-11-22(21)33-27(35)32-17(2)18-5-8-20(9-6-18)28(29,30)31/h5-10,14,17H,11-13,15-16H2,1-2H3,(H,32,33)/t17-/m0/s1
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| InChIKey |
QZDDDXIGZJGSQV-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