General Information of the Compound
Compound ID |
CP0492951
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Compound Name |
US9481682, 79
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Structure |
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Formula |
C29H26F3N7O4
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Molecular Weight |
593.566
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Canonical SMILES |
COC(=O)Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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InChI |
InChI=1S/C29H26F3N7O4/c1-43-28(42)37-25-24-23(36-26(38(24)13-12-34-25)18-6-7-20-8-9-22(40)39(20)15-18)16-2-4-17(5-3-16)27(41)35-21-14-19(10-11-33-21)29(30,31)32/h2-5,10-14,18,20H,6-9,15H2,1H3,(H,33,35,41)(H,34,37,42)/t18-,20+/m1/s1
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InChIKey |
KUHHDQWMTKWYMH-QUCCMNQESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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