General Information of the Compound
| Compound ID |
CP0546009
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| Compound Name |
US10077266, Example 44
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| Structure |
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| Formula |
C24H32FN5O3
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| Molecular Weight |
457.55
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| Canonical SMILES |
COc1ccc(OC2CCN(CC2)c2nc3CN(CCc3nc2NC(C)C)C(C)=O)c(F)c1
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| InChI |
InChI=1S/C24H32FN5O3/c1-15(2)26-23-24(28-21-14-30(16(3)31)12-9-20(21)27-23)29-10-7-17(8-11-29)33-22-6-5-18(32-4)13-19(22)25/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,26,27)
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| InChIKey |
XKTBIBQLAGXRKU-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