General Information of the Compound
| Compound ID |
CP0744657
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| Compound Name |
SID26731949
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| Structure |
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| Formula |
C27H30F3N7O2
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| Molecular Weight |
541.578
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4nccnc4N)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C27H30F3N7O2/c1-3-36-10-12-37(13-11-36)16-19-6-7-20(15-21(19)27(28,29)30)34-25(38)18-5-4-17(2)22(14-18)35-26(39)23-24(31)33-9-8-32-23/h4-9,14-15H,3,10-13,16H2,1-2H3,(H2,31,33)(H,34,38)(H,35,39)
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| InChIKey |
PDZZONMGHLSPDQ-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