General Information of the Compound
| Compound ID |
CP0510942
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| Compound Name |
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]-N-prop-2-enylprop-2-en-1-amine
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| Structure |
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC=C)CC=C
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| InChI |
InChI=1S/C25H29N5/c1-7-12-28(13-8-2)16-22-20(6)27-25-29(22)21-10-9-11-26-24(21)30(25)23-18(4)14-17(3)15-19(23)5/h7-11,14-15H,1-2,12-13,16H2,3-6H3
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| InChIKey |
NUWGXTJSQNIEHU-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