General Information of the Compound
| Compound ID |
CP0518657
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| Compound Name |
US9428456, 3.006
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| Structure |
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| Formula |
C25H31FN4O2
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| Molecular Weight |
438.547
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccnc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H31FN4O2/c26-20-8-6-18(7-9-20)24(31)29-22-10-13-27-23(16-22)17-30-14-11-19(12-15-30)25(32)28-21-4-2-1-3-5-21/h6-10,13,16,19,21H,1-5,11-12,14-15,17H2,(H,28,32)(H,27,29,31)
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| InChIKey |
KCCNKWJKWRCWLB-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