General Information of the Compound
| Compound ID |
CP0538717
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| Compound Name |
2-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-5-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-2-N-methylpyrazine-2,5-diamine
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| Structure |
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| Formula |
C25H28Cl2FN5O
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| Molecular Weight |
504.437
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| Canonical SMILES |
CCc1nc(N(C)c2ncc(Cl)cc2Cl)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
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| InChI |
InChI=1S/C25H28Cl2FN5O/c1-4-19-23(32-22-17-9-7-6-8-15(17)12-21(22)34-11-10-28)30-20(5-2)25(31-19)33(3)24-18(27)13-16(26)14-29-24/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,32)/t21-,22+/m0/s1
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| InChIKey |
AXRGGNRDBYIQOI-FCHUYYIVSA-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