General Information of the Compound
| Compound ID |
CP0243821
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| Compound Name |
US10118902, Example 105
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| Structure |
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| Formula |
C27H33FN4O
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| Molecular Weight |
448.586
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| Canonical SMILES |
CCCN(C)c1cc2c(nc(nc2cc1F)C1CC1)N1CCC(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C27H33FN4O/c1-4-13-31(2)24-16-21-23(17-22(24)28)29-26(19-9-10-19)30-27(21)32-14-11-18(12-15-32)20-7-5-6-8-25(20)33-3/h5-8,16-19H,4,9-15H2,1-3H3
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| InChIKey |
SQYVLNLVFPNUIS-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