General Information of the Compound
| Compound ID |
CP0483916
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| Compound Name |
US9206173, 163
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| Structure |
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| Formula |
C28H27F3N6O2
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| Molecular Weight |
536.558
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| Canonical SMILES |
C[C@@H](Nc1nc2CCN(Cc2c(=O)n1N1CCCC1)C(=O)c1ccc(cc1)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H27F3N6O2/c1-18(20-8-10-22(11-9-20)28(29,30)31)33-27-34-24-12-15-35(25(38)21-6-4-19(16-32)5-7-21)17-23(24)26(39)37(27)36-13-2-3-14-36/h4-11,18H,2-3,12-15,17H2,1H3,(H,33,34)/t18-/m1/s1
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| InChIKey |
UTZHXZWWDPLZNV-GOSISDBHSA-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