General Information of the Compound
| Compound ID |
CP0087010
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| Compound Name |
US8680275, 177
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| Structure |
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| Formula |
C22H22FN5O2
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| Molecular Weight |
407.449
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ncoc1-c1ccccc1F
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| InChI |
InChI=1S/C22H22FN5O2/c1-13-9-14(2)26-22(25-13)28-10-15-7-8-27(11-18(15)28)21(29)19-20(30-12-24-19)16-5-3-4-6-17(16)23/h3-6,9,12,15,18H,7-8,10-11H2,1-2H3/t15-,18-/m0/s1
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| InChIKey |
ADLJMXGXMGUKOJ-YJBOKZPZSA-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