General Information of the Compound
| Compound ID |
CP0501518
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| Compound Name |
US9012461, 30
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| Structure |
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| Formula |
C25H28F3N7O
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| Molecular Weight |
499.541
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncncc3CC(N)=O)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H28F3N7O/c1-35-10-8-17(9-11-35)16-2-4-19(5-3-16)33-24-31-14-20(25(26,27)28)22(34-24)7-6-21-18(12-23(29)36)13-30-15-32-21/h2-5,13-15,17H,6-12H2,1H3,(H2,29,36)(H,31,33,34)
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| InChIKey |
HLOWFHBKYPJYFW-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