General Information of the Compound
| Compound ID |
CP0210250
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| Compound Name |
N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
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| Structure |
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| Formula |
C17H17N5
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| Molecular Weight |
291.358
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| Canonical SMILES |
Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12
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| InChI |
InChI=1S/C17H17N5/c1-22-10-20-15-16(22)13-8-11-4-2-3-5-12(11)9-14(13)21-17(15)19-7-6-18/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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| InChIKey |
AKFPEKVULJCIRV-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