General Information of the Compound
| Compound ID |
CP0080053
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| Compound Name |
4-[6-methyl-9-(4-methylphenyl)-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCOCC1
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| InChI |
InChI=1S/C20H21N7O/c1-12-3-5-14(6-4-12)17-15-11-21-20(27-7-9-28-10-8-27)24-18(15)23-19-16(22-17)13(2)25-26-19/h3-6,11H,7-10H2,1-2H3,(H2,21,23,24,25,26)
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| InChIKey |
RSYZLOYFJHZIQR-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