General Information of the Compound
| Compound ID |
CP0555887
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| Compound Name |
US9150546, I-298
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| Structure |
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| Formula |
C23H25ClFN5O4
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| Molecular Weight |
489.935
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| Canonical SMILES |
CNC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C23H25ClFN5O4/c1-14(2)34-19-9-8-17(12-18(19)25)27-21-28-22(32)29(11-10-20(31)26-3)23(33)30(21)13-15-4-6-16(24)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)(H,27,28,32)
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| InChIKey |
XGSOCLWAPUYZQU-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