General Information of the Compound
| Compound ID |
CP0853641
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| Compound Name |
(S)-2-(2,4-Dichloro-phenyl)-7-ethyl-6-(2-methoxy-ethyl)-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C20H22Cl2N4O
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| Molecular Weight |
405.329
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CCOC
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| InChI |
InChI=1S/C20H22Cl2N4O/c1-4-14-11-26-20-17(25(14)7-8-27-3)9-12(2)23-19(20)18(24-26)15-6-5-13(21)10-16(15)22/h5-6,9-10,14H,4,7-8,11H2,1-3H3/t14-/m0/s1
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| InChIKey |
OKWDLKHJGAXFSE-AWEZNQCLSA-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