General Information of the Compound
| Compound ID |
CP0384235
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| Compound Name |
5-amino-N-[(4-methoxyphenyl)methyl]-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nncn32)cc1
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| InChI |
InChI=1S/C18H17N5O2S/c1-10-7-13-22-21-9-23(13)18-14(10)15(19)16(26-18)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9H,8,19H2,1-2H3,(H,20,24)
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| InChIKey |
OZNCHDLYTIQUCE-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