General Information of the Compound
| Compound ID |
CP0560184
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| Compound Name |
US9303015, 26
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| Structure |
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| Formula |
C31H27Cl2F3N4O2
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| Molecular Weight |
615.483
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| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H27Cl2F3N4O2/c1-4-40(5-2)29-28(42-23-13-11-22(33)12-14-23)27(31(34,35)36)24-16-20(8-15-25(24)38-29)30(41,26-17-37-18-39(26)3)19-6-9-21(32)10-7-19/h6-18,41H,4-5H2,1-3H3
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| InChIKey |
OBMBDUORCAESAA-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