General Information of the Compound
| Compound ID |
CP0520671
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| Compound Name |
US8969325, 62
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| Structure |
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| Formula |
C22H24F3N5O4
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| Molecular Weight |
479.459
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(nc2O1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N5O4/c1-21(2)10-16(14-5-6-17(22(23,24)25)29-18(14)34-21)27-19(32)26-13-4-3-12-11-30(7-8-31)20(33)28-15(12)9-13/h3-6,9,16,31H,7-8,10-11H2,1-2H3,(H,28,33)(H2,26,27,32)/t16-/m1/s1
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| InChIKey |
LUODBZIJTPRQNX-MRXNPFEDSA-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