General Information of the Compound
| Compound ID |
CP0505455
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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]ethanamine
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| Structure |
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| Formula |
C25H31N5
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| Molecular Weight |
401.558
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| Canonical SMILES |
CCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12
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| InChI |
InChI=1S/C25H31N5/c1-6-28(14-20-9-10-20)15-22-19(5)27-25-29(22)21-8-7-11-26-24(21)30(25)23-17(3)12-16(2)13-18(23)4/h7-8,11-13,20H,6,9-10,14-15H2,1-5H3
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| InChIKey |
PDRNBODQGNNXET-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