General Information of the Compound
| Compound ID |
CP0538718
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| Compound Name |
5-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-2-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazine-2,5-diamine
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| Structure |
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| Formula |
C24H26Cl2FN5O
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| Molecular Weight |
490.41
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| Canonical SMILES |
CCc1nc(Nc2ncc(Cl)cc2Cl)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
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| InChI |
InChI=1S/C24H26Cl2FN5O/c1-3-18-23(31-21-16-8-6-5-7-14(16)11-20(21)33-10-9-27)29-19(4-2)24(30-18)32-22-17(26)12-15(25)13-28-22/h5-8,12-13,20-21H,3-4,9-11H2,1-2H3,(H,29,31)(H,28,30,32)/t20-,21+/m0/s1
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| InChIKey |
WIMVCPNLHBNSFE-LEWJYISDSA-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