General Information of the Compound
| Compound ID |
CP0419162
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| Compound Name |
US9278960, 4-118
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| Structure |
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| Formula |
C21H20F5N5O2
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| Molecular Weight |
469.414
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(c2)C(F)F)C[C@@H](O1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32)/t11-,18-/m1/s1
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| InChIKey |
DQYKLTXNJFBRJO-ADLMAVQZSA-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