General Information of the Compound
| Compound ID |
CP0531628
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| Compound Name |
US10077266, Example 58
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| Structure |
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| Formula |
C23H32FN5O2
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| Molecular Weight |
429.54
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| Canonical SMILES |
COc1ccc(OC2CCN(CC2)c2nc3CN(C)CCc3nc2NC(C)C)c(F)c1
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| InChI |
InChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-20-14-28(3)10-9-19(20)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26)
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| InChIKey |
LPDQCOZZDLFEPF-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