General Information of the Compound
| Compound ID |
CP0553815
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| Compound Name |
US8933079, 4.19
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| Structure |
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| Formula |
C25H27BrN4O3
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| Molecular Weight |
511.42
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| Canonical SMILES |
CC1CCCN1Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)nc2=O)c(C)c1
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| InChI |
InChI=1S/C25H27BrN4O3/c1-17-12-19(14-29-10-3-4-18(29)2)5-8-22(17)23(31)15-30-11-9-24(28-25(30)32)33-16-21-7-6-20(26)13-27-21/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3
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| InChIKey |
VHGRNBLSDFAHJO-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