General Information of the Compound
| Compound ID |
CP0060369
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| Compound Name |
2-amino-6-halopurine analogue, 20
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| Synonyms |
BIIB-021
CNF-2024
CNF-3647
EC-129
EC-137
EC-138
EC-141
EC-144
EC-145, Conforma
EC-146
EC-147
EC-151
EC-78
EC-82, Conforma
EC-89
Hsp90 inhibitor (cancer), Biogen Idec
Hsp90 inhibitors (synthetic, cancer), Conforma
Synthetic Hsp90 inhibitors (cancer), Conforma
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| Structure |
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| Formula |
C14H15ClN6O
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| Molecular Weight |
318.768
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| Canonical SMILES |
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
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| InChI |
InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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| InChIKey |
QULDDKSCVCJTPV-UHFFFAOYSA-N
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| CAS |
848695-25-0
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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: PT01500, Heat shock protein HSP 90-alpha
Protein ID: PT01478, Heat shock protein HSP 90-beta
Clinical Information about the Compound