General Information of the Compound
| Compound ID |
CP0510941
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| Compound Name |
8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-morpholin-4-ylmethyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]indene
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| Structure |
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| Formula |
C22H24ClN5O
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| Molecular Weight |
409.921
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| Canonical SMILES |
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCOCC1
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| InChI |
InChI=1S/C22H24ClN5O/c1-14-11-15(2)20(17(23)12-14)28-21-18(5-4-6-24-21)27-19(16(3)25-22(27)28)13-26-7-9-29-10-8-26/h4-6,11-12H,7-10,13H2,1-3H3
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| InChIKey |
WJIMFWKSPBKAGE-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