General Information of the Compound
| Compound ID |
CP0384242
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| Compound Name |
5-amino-N-[(4-methoxyphenyl)methyl]-7,11-dimethyl-3-thia-1,10,12-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 |
C19H19N5O2S
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| Molecular Weight |
381.461
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| Canonical SMILES |
COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1
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| InChI |
InChI=1S/C19H19N5O2S/c1-10-8-14-22-11(2)23-24(14)19-15(10)16(20)17(27-19)18(25)21-9-12-4-6-13(26-3)7-5-12/h4-8H,9,20H2,1-3H3,(H,21,25)
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| InChIKey |
YYPQFWYTHFCMBP-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