General Information of the Compound
| Compound ID |
CP0459253
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| Compound Name |
1-(3-allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3,3-dimethylbutan-2-ol
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| Structure |
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| Formula |
C16H23N3O
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| Molecular Weight |
273.38
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| Canonical SMILES |
CC(C)(C)C(O)Cn1c2ccccc2n(CC=C)c1=N
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| InChI |
InChI=1S/C16H23N3O/c1-5-10-18-12-8-6-7-9-13(12)19(15(18)17)11-14(20)16(2,3)4/h5-9,14,17,20H,1,10-11H2,2-4H3
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| InChIKey |
UPCOAWBOZPGUJV-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