General Information of the Compound
| Compound ID |
CP0562464
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| Compound Name |
US9216968, 144
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| Structure |
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| Formula |
C28H27ClF3N5O3
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| Molecular Weight |
574.003
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| Canonical SMILES |
CCCN(CCO)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C28H27ClF3N5O3/c1-3-11-37(12-13-38)27-35-23-15-17(33-25(39)18-7-4-5-8-20(18)28(30,31)32)14-19(24(23)36-27)26(40)34-22-10-6-9-21(29)16(22)2/h4-10,14-15,38H,3,11-13H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)
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| InChIKey |
MHPYYAQZVFCMCU-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