General Information of the Compound
| Compound ID |
CP0518559
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| Compound Name |
US8933079, 6.6
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| Structure |
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| Formula |
C24H25FN4O4
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| Molecular Weight |
452.486
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| Canonical SMILES |
Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C24H25FN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1
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| InChIKey |
VFHCFVJBXOILLO-FQEVSTJZSA-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