General Information of the Compound
| Compound ID |
CP0910086
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| Compound Name |
US9328120, 16
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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 |
Cc1cnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)nc1
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| InChI |
InChI=1S/C20H22F2N6O/c1-11-8-23-16(24-9-11)13-2-3-14(13)17-26-18-15(19(29)27-17)10-25-28(18)12-4-6-20(21,22)7-5-12/h8-10,12-14H,2-7H2,1H3,(H,26,27,29)/t13-,14-/m0/s1
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| InChIKey |
IWWBCBVSDLQRLB-KBPBESRZSA-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