General Information of the Compound
| Compound ID |
CP0554237
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| Compound Name |
US9062070, 44
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| Structure |
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| Formula |
C25H25FN8O2
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| Molecular Weight |
488.527
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C25H25FN8O2/c1-15-18(5-6-21(26)24(15)27-2)22-12-32-7-8-33(11-17(32)13-36-22)25(35)19-4-3-16-9-23(28-10-20(16)19)34-14-29-30-31-34/h5-6,9-10,14,17,19,22H,3-4,7-8,11-13H2,1H3/t17-,19?,22-/m0/s1
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| InChIKey |
YSLZIEURPNRRMB-RLPNNEDTSA-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