General Information of the Compound
| Compound ID |
CP0430424
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| Compound Name |
1-(2-Chloro-4-methanesulfonyl-phenyl)-7-methyl-5-(1-propyl-butyl)-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
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| Structure |
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| Formula |
C24H30ClN3O2S
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| Molecular Weight |
460.043
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| Canonical SMILES |
CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)S(C)(=O)=O)c3nc(C)cc1c23
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| InChI |
InChI=1S/C24H30ClN3O2S/c1-5-7-18(8-6-2)27-12-11-17-15-28(24-23(17)22(27)13-16(3)26-24)21-10-9-19(14-20(21)25)31(4,29)30/h9-10,13-15,18H,5-8,11-12H2,1-4H3
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| InChIKey |
QEJFIWGXHHJEEF-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