General Information of the Compound
| Compound ID |
CP0568401
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| Compound Name |
US9290454, 4.1
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| Structure |
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| Formula |
C32H31F2N3O4
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| Molecular Weight |
559.613
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(F)cc3)c2=O)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H31F2N3O4/c1-21-20-35(26-11-7-24(33)8-12-26)16-17-36(21)31(40)22-6-15-29-23(18-22)19-28(4-2-3-5-30(38)39)37(32(29)41)27-13-9-25(34)10-14-27/h6-15,18-19,21H,2-5,16-17,20H2,1H3,(H,38,39)/t21-/m1/s1
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| InChIKey |
YTMWEJHKTHDECR-OAQYLSRUSA-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