General Information of the Compound
| Compound ID |
CP0577293
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| Compound Name |
11,13-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C23H25N5OS
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| Molecular Weight |
419.554
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(CN4CCOCC4)cc3)ncnc21
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| InChI |
InChI=1S/C23H25N5OS/c1-15-11-16(2)27-23-19(15)20-21(30-23)22(26-14-25-20)24-12-17-3-5-18(6-4-17)13-28-7-9-29-10-8-28/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,25,26)
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| InChIKey |
XEXWXBDURHXOMZ-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