General Information of the Compound
| Compound ID |
CP0553809
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| Compound Name |
US8933079, 4.10
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| Structure |
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| Formula |
C27H31BrN4O3
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| Molecular Weight |
539.474
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| Canonical SMILES |
CCN1CCN(Cc2ccc(C(=O)Cn3ccc(OCc4ccc(Br)cn4)cc3=O)c(C)c2)CC1
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| InChI |
InChI=1S/C27H31BrN4O3/c1-3-30-10-12-31(13-11-30)17-21-4-7-25(20(2)14-21)26(33)18-32-9-8-24(15-27(32)34)35-19-23-6-5-22(28)16-29-23/h4-9,14-16H,3,10-13,17-19H2,1-2H3
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| InChIKey |
QYUDCPSTENHFQT-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