General Information of the Compound
| Compound ID |
CP0412490
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| Compound Name |
US9206199, 61
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| Structure |
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| Formula |
C23H23FN8O3
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| Molecular Weight |
478.488
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| Canonical SMILES |
COc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C23H23FN8O3/c1-25-22-18(24)5-4-17(23(22)34-2)19-12-30-7-8-31(11-16(30)13-35-19)21(33)9-15-3-6-20(26-10-15)32-14-27-28-29-32/h3-6,10,14,16,19H,7-9,11-13H2,2H3/t16-,19+/m0/s1
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| InChIKey |
CRBADEHFIMSQAZ-QFBILLFUSA-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