General Information of the Compound
| Compound ID |
CP0043495
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| Compound Name |
8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine
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| Synonyms |
06IVK87M04
2fwz
6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-n-(1-methylethyl)-9h-purine-9-propanamine
8-((6-Iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
8-(6-Iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
8-[(6-Iodo-1,3-Benzodioxol-5-Yl)thio]-9-[3-(Isopropylamino)propyl]-9h-Purin-6-Amine
873436-91-0
CHEMBL200102
H71
NSC 750424
PU H71
PU-H 71
PU-H-71
PU-H71
PUH-71
UNII-06IVK87M04
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| Structure |
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| Formula |
C18H21IN6O2S
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| Molecular Weight |
512.377
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| Canonical SMILES |
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
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| InChI |
InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
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| InChIKey |
SUPVGFZUWFMATN-UHFFFAOYSA-N
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| CAS |
873436-91-0
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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
Protein ID: PT01478, Heat shock protein HSP 90-beta
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound