General Information of the Compound
| Compound ID |
CP0451723
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| Compound Name |
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-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 |
C16H17N5
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| Molecular Weight |
279.347
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| Canonical SMILES |
C1C[C@H]2C[C@@H]1C[C@@H]2Nc1ncnc2c1nn1ccccc21
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| InChI |
InChI=1S/C16H17N5/c1-2-6-21-13(3-1)14-15(20-21)16(18-9-17-14)19-12-8-10-4-5-11(12)7-10/h1-3,6,9-12H,4-5,7-8H2,(H,17,18,19)/t10-,11+,12+/m1/s1
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| InChIKey |
KQNFMYWDXNSOHC-WOPDTQHZSA-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