General Information of the Compound
| Compound ID |
CP0412639
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| Compound Name |
N-(cyclopropylmethyl)-N-[[4-methyl-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 |
C26H33N5
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| Molecular Weight |
415.585
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| Canonical SMILES |
CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12
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| InChI |
InChI=1S/C26H33N5/c1-6-12-29(15-21-9-10-21)16-23-20(5)28-26-30(23)22-8-7-11-27-25(22)31(26)24-18(3)13-17(2)14-19(24)4/h7-8,11,13-14,21H,6,9-10,12,15-16H2,1-5H3
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| InChIKey |
UODGRQMCTYUJAX-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