General Information of the Compound
| Compound ID |
CP0531666
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| Compound Name |
US8680275, 189
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| Structure |
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| Formula |
C21H23FN8O
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| Molecular Weight |
422.468
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| Canonical SMILES |
CN(C)c1cc(ncn1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H23FN8O/c1-27(2)19-10-20(24-13-23-19)29-11-14-5-8-28(12-18(14)29)21(31)16-9-15(22)3-4-17(16)30-25-6-7-26-30/h3-4,6-7,9-10,13-14,18H,5,8,11-12H2,1-2H3/t14-,18-/m0/s1
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| InChIKey |
CWGQURLFXHAFQD-KSSFIOAISA-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