General Information of the Compound
| Compound ID |
CP0427894
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| Compound Name |
N-(cyclobutylmethyl)-N-[[4-ethyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]propan-1-amine
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| Structure |
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| Formula |
C28H37N5
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| Molecular Weight |
443.639
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| Canonical SMILES |
CCCN(CC1CCC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12
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| InChI |
InChI=1S/C28H37N5/c1-6-14-31(17-22-10-8-11-22)18-25-23(7-2)30-28-32(25)24-12-9-13-29-27(24)33(28)26-20(4)15-19(3)16-21(26)5/h9,12-13,15-16,22H,6-8,10-11,14,17-18H2,1-5H3
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| InChIKey |
DIQBITBTVLGGJD-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