General Information of the Compound
| Compound ID |
CP0577294
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| Compound Name |
11,13-dimethyl-N-[(2-methylpyrimidin-5-yl)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 |
C17H16N6S
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| Molecular Weight |
336.424
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3cnc(C)nc3)ncnc21
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| InChI |
InChI=1S/C17H16N6S/c1-9-4-10(2)23-17-13(9)14-15(24-17)16(22-8-21-14)20-7-12-5-18-11(3)19-6-12/h4-6,8H,7H2,1-3H3,(H,20,21,22)
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| InChIKey |
MHSMAZQHXHOMTB-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