General Information of the Compound
| Compound ID |
CP0578132
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| Compound Name |
US9062070, 76
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| Structure |
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| Formula |
C24H24FN9O2
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| Molecular Weight |
489.515
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2cnc(nc2C1)-n1cnnn1
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| InChI |
InChI=1S/C24H24FN9O2/c1-14-18(3-4-19(25)22(14)26-2)21-11-32-5-6-33(10-17(32)12-36-21)23(35)15-7-16-9-27-24(29-20(16)8-15)34-13-28-30-31-34/h3-4,9,13,15,17,21H,5-8,10-12H2,1H3/t15?,17-,21+/m0/s1
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| InChIKey |
FKMWVXBCDWWRBS-GPIDFBCLSA-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