General Information of the Compound
| Compound ID |
CP0495277
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| Compound Name |
US9428456, 4.005
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| Structure |
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| Formula |
C25H31FN4O3
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| Molecular Weight |
454.546
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| Canonical SMILES |
[O-][n+]1cc(F)ccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H31FN4O3/c26-20-9-10-23(30(33)17-20)25(32)28-22-8-4-5-18(15-22)16-29-13-11-19(12-14-29)24(31)27-21-6-2-1-3-7-21/h4-5,8-10,15,17,19,21H,1-3,6-7,11-14,16H2,(H,27,31)(H,28,32)
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| InChIKey |
GIDGRQZSWJVNIP-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