General Information of the Compound
| Compound ID |
CP0381861
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| Compound Name |
N-[(1S)-1-cyclohexylethyl]-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 |
C17H21N5
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| Molecular Weight |
295.39
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| Canonical SMILES |
C[C@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1
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| InChI |
InChI=1S/C17H21N5/c1-12(13-7-3-2-4-8-13)20-17-16-15(18-11-19-17)14-9-5-6-10-22(14)21-16/h5-6,9-13H,2-4,7-8H2,1H3,(H,18,19,20)/t12-/m0/s1
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| InChIKey |
UPDZNBGLMNMPFD-LBPRGKRZSA-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