General Information of the Compound
| Compound ID |
CP0563883
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| Compound Name |
US9062048, 59
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| Formula |
C27H27F6N5O2
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| Molecular Weight |
567.534
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| Canonical SMILES |
FC(F)(F)c1ccc2nc(cc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1)C(F)(F)F
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| InChI |
InChI=1S/C27H27F6N5O2/c28-26(29,30)16-4-9-21-20(11-16)22(12-23(36-21)27(31,32)33)34-13-24(39)35-17-14-37(15-17)18-5-7-19(8-6-18)38-10-2-1-3-25(38)40/h1-4,9-12,17-19H,5-8,13-15H2,(H,34,36)(H,35,39)/t18-,19+
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| InChIKey |
BCQMWAUVNRXNEG-KDURUIRLSA-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