General Information of the Compound
| Compound ID |
CP0378899
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| Compound Name |
125I-CYP
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| Structure |
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| Formula |
C16H20IN3O2
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| Molecular Weight |
413.259
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| Canonical SMILES |
CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
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| InChI |
InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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| InChIKey |
JBLUMBNIBNHRSO-UHFFFAOYSA-N
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| CAS |
80180-26-3
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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