General Information of the Compound
| Compound ID |
CP0055076
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| Compound Name |
pyrene
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| Structure |
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| Formula |
C16H10
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| Molecular Weight |
202.256
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| Canonical SMILES |
c1cc2ccc3cccc4ccc(c1)c2c34
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| InChI |
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
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| InChIKey |
BBEAQIROQSPTKN-UHFFFAOYSA-N
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| CAS |
129-00-0
76165-23-6
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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