General Information of the Compound
| Compound ID |
CP0269483
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| Compound Name |
US9388171, II-37
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| Structure |
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| Formula |
C27H26FN7O2
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| Molecular Weight |
499.55
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| Canonical SMILES |
COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1cnn(C)c1
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| InChI |
InChI=1S/C27H26FN7O2/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17/h5-15,26H,1-4H3,(H,29,31)(H,32,36)/t26-/m0/s1
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| InChIKey |
ZIJDDQGSYWWTTP-SANMLTNESA-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