General Information of the Compound
| Compound ID |
CP0523762
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| Compound Name |
9-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-6-furan-2-yl-9H-purin-2-ylamine
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| Structure |
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| Formula |
C17H12ClN5O3
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| Molecular Weight |
369.768
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| Canonical SMILES |
Nc1nc(-c2ccco2)c2ncn(Cc3cc4OCOc4cc3Cl)c2n1
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| InChI |
InChI=1S/C17H12ClN5O3/c18-10-5-13-12(25-8-26-13)4-9(10)6-23-7-20-15-14(11-2-1-3-24-11)21-17(19)22-16(15)23/h1-5,7H,6,8H2,(H2,19,21,22)
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| InChIKey |
FZABPMWAXZBSBJ-UHFFFAOYSA-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