General Information of the Compound
| Compound ID |
CP0516400
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| Compound Name |
US9278960, 4-65
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| Structure |
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| Formula |
C21H22F3N5O2
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| Molecular Weight |
433.434
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@H](O1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N5O2/c1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30)/t12-,19-/m0/s1
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| InChIKey |
KTYWQIWONODXST-BUXKBTBVSA-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