General Information of the Compound
| Compound ID |
CP0266297
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| Compound Name |
US10118902, Example 20
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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)c1ccc2nc(nc(N3CCC(CC3)c3ccccc3OC)c2c1)C1(F)CC1
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| InChI |
InChI=1S/C27H33FN4O/c1-4-15-31(2)20-9-10-23-22(18-20)25(30-26(29-23)27(28)13-14-27)32-16-11-19(12-17-32)21-7-5-6-8-24(21)33-3/h5-10,18-19H,4,11-17H2,1-3H3
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| InChIKey |
VBZMXFCLNPYXGH-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