General Information of the Compound
| Compound ID |
CP0556602
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| Compound Name |
US8975247, EBP933
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| Structure |
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| Formula |
C27H31BrClN3
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| Molecular Weight |
512.923
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| Canonical SMILES |
Clc1ccc(Cn2c(\C=C\C3CCN(CC4CCCCC4)C3)nc3cc(Br)ccc23)cc1
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| InChI |
InChI=1S/C27H31BrClN3/c28-23-9-12-26-25(16-23)30-27(32(26)19-21-6-10-24(29)11-7-21)13-8-22-14-15-31(18-22)17-20-4-2-1-3-5-20/h6-13,16,20,22H,1-5,14-15,17-19H2/b13-8+
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| InChIKey |
XDLPKLHZFXXHFQ-MDWZMJQESA-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