General Information of the Compound
| Compound ID |
CP0506977
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| Compound Name |
US8933079, 4.20
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| Structure |
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| Formula |
C24H27BrN4O3
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| Molecular Weight |
499.409
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| Canonical SMILES |
CCN(CC)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)nc2=O)c(C)c1
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| InChI |
InChI=1S/C24H27BrN4O3/c1-4-28(5-2)14-18-6-9-21(17(3)12-18)22(30)15-29-11-10-23(27-24(29)31)32-16-20-8-7-19(25)13-26-20/h6-13H,4-5,14-16H2,1-3H3
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| InChIKey |
GKJPGQSDKZTLEF-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