General Information of the Compound
| Compound ID |
CP0488828
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| Compound Name |
US9062070, 68
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| Structure |
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| Formula |
C24H22F2N8O2
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| Molecular Weight |
492.49
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| Canonical SMILES |
Fc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C24H22F2N8O2/c1-27-21-7-17(19(25)8-20(21)26)22-11-32-4-5-33(10-15(32)12-36-22)24(35)16-3-2-14-6-23(28-9-18(14)16)34-13-29-30-31-34/h6-9,13,15-16,22H,2-5,10-12H2/t15-,16?,22-/m0/s1
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| InChIKey |
ZJPVWBVSAYVRHR-HNOVQZRZSA-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