General Information of the Compound
| Compound ID |
CP0577838
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| Compound Name |
US9062070, 79
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| Structure |
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| Formula |
C23H22FN9O2
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| Molecular Weight |
475.488
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| Canonical SMILES |
Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C23H22FN9O2/c1-25-20-8-14(2-4-18(20)24)21-11-31-6-7-32(10-15(31)12-35-21)22(34)16-3-5-19-17(16)9-26-23(28-19)33-13-27-29-30-33/h2,4,8-9,13,15-16,21H,3,5-7,10-12H2/t15-,16?,21-/m0/s1
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| InChIKey |
UYACTOHYTKXHNZ-BTLCHPSKSA-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