General Information of the Compound
| Compound ID |
CP0557970
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| Compound Name |
US9199981, F169
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| Structure |
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| Formula |
C26H26F2N6O2
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| Molecular Weight |
492.53
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)C1CCNCC1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C26H26F2N6O2/c1-15-2-3-18(23-32-25(36-33-23)19-12-26(27,28)13-19)10-20(15)31-24(35)21-14-30-22-11-17(6-9-34(21)22)16-4-7-29-8-5-16/h2-3,6,9-11,14,16,19,29H,4-5,7-8,12-13H2,1H3,(H,31,35)
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| InChIKey |
SMXOEIFIDKLKCI-UHFFFAOYSA-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