General Information of the Compound
| Compound ID |
CP0559723
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| Compound Name |
US9206173, 2472
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| Structure |
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| Formula |
C25H29FN4O3
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| Molecular Weight |
452.53
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| Canonical SMILES |
COn1c(C[C@H](C)C2CCCCC2)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C25H29FN4O3/c1-16(18-6-4-3-5-7-18)12-23-28-22-10-11-29(15-20(22)25(32)30(23)33-2)24(31)19-9-8-17(14-27)13-21(19)26/h8-9,13,16,18H,3-7,10-12,15H2,1-2H3/t16-/m0/s1
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| InChIKey |
BQRQONDDIGZZHP-INIZCTEOSA-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