General Information of the Compound
| Compound ID |
CP0573648
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| Compound Name |
US9062070, 87
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| Structure |
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| Formula |
C27H28FN7O4
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| Molecular Weight |
533.564
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| Canonical SMILES |
C[C@H]1Cc2c(F)c(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C27H28FN7O4/c1-15-10-21-19(27(37)39-15)2-3-20(25(21)28)23-12-33-8-9-34(11-16(33)13-38-23)26(36)18-4-6-22-17(18)5-7-24(30-22)35-14-29-31-32-35/h2-3,5,7,14-16,18,23H,4,6,8-13H2,1H3/t15-,16-,18?,23+/m0/s1
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| InChIKey |
SOSQLHPGHQRBCR-LJHDBQRISA-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