General Information of the Compound
| Compound ID |
CP0575640
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| Compound Name |
US9062059, 2-17
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| Structure |
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| Formula |
C20H22F2N6O
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| Molecular Weight |
400.433
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| Canonical SMILES |
Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccc(cn2)C(F)F)n1
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| InChI |
InChI=1S/C20H22F2N6O/c1-12-26-18(24-7-13-8-25-28(2)10-13)6-19(27-12)29-11-15-5-16(15)17-4-3-14(9-23-17)20(21)22/h3-4,6,8-10,15-16,20H,5,7,11H2,1-2H3,(H,24,26,27)/t15-,16+/m1/s1
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| InChIKey |
SGMUVWJQJPJTOI-CVEARBPZSA-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