General Information of the Compound
| Compound ID |
CP0465898
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| Compound Name |
US9446130, 20
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| Structure |
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| Formula |
C28H24F3N9O
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| Molecular Weight |
559.556
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCn2c(nnc12)C1CC1
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| InChI |
InChI=1S/C28H24F3N9O/c29-28(30,31)18-9-10-33-20(14-18)35-27(41)17-7-3-15(4-8-17)21-22-23(32)34-11-13-39(22)25(36-21)19-2-1-12-40-24(16-5-6-16)37-38-26(19)40/h3-4,7-11,13-14,16,19H,1-2,5-6,12H2,(H2,32,34)(H,33,35,41)/t19-/m1/s1
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| InChIKey |
YKZGZLMQSDUAJP-LJQANCHMSA-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