General Information of the Compound
| Compound ID |
CP0556003
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| Compound Name |
US9062070, 98
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| Structure |
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| Formula |
C25H26FN9O
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| Molecular Weight |
487.543
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C25H26FN9O/c1-15-17(3-6-20(26)24(15)27-2)22-13-33-9-10-34(12-16(33)11-28-22)25(36)19-4-7-21-18(19)5-8-23(30-21)35-14-29-31-32-35/h3,5-6,8,14,16,19,22,28H,4,7,9-13H2,1H3/t16-,19?,22+/m1/s1
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| InChIKey |
QYTGXCCUHMQTDO-QXGTWOLJSA-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