General Information of the Compound
| Compound ID |
CP0367137
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| Compound Name |
CAS_163889
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| Synonyms |
BW-A522
I-ABOPX
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| Structure |
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| Formula |
C23H22IN5O5
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| Molecular Weight |
575.363
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| Canonical SMILES |
CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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| InChIKey |
DKJMGIXWGPEEFF-UHFFFAOYSA-N
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| CAS |
112533-64-9
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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
Clinical Information about the Compound