General Information of the Compound
| Compound ID |
CP0381866
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| Compound Name |
N-(4,4-difluorocyclohexyl)-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C15H15F2N5
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| Molecular Weight |
303.316
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| Canonical SMILES |
FC1(F)CCC(CC1)Nc1ncnc2c1nn1ccccc21
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| InChI |
InChI=1S/C15H15F2N5/c16-15(17)6-4-10(5-7-15)20-14-13-12(18-9-19-14)11-3-1-2-8-22(11)21-13/h1-3,8-10H,4-7H2,(H,18,19,20)
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| InChIKey |
UXRMWQYSPUWNGP-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