General Information of the Compound
| Compound ID |
CP0176892
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| Compound Name |
12-(furan-3-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C15H8N4O
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| Molecular Weight |
260.256
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccoc1
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| InChI |
InChI=1S/C15H8N4O/c16-5-11-4-12-13-3-10(9-1-2-20-8-9)6-18-15(13)19-14(12)7-17-11/h1-4,6-8H,(H,18,19)
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| InChIKey |
KZSZKBQXNVVBFG-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