General Information of the Compound
| Compound ID |
CP0444895
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| Compound Name |
2-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-N-(4-methylpyridin-2-yl)pyrazine-2,5-diamine
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| Structure |
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| Formula |
C25H31N5O
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| Molecular Weight |
417.557
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| Canonical SMILES |
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Nc2cc(C)ccn2)nc1CC
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| InChI |
InChI=1S/C25H31N5O/c1-5-19-24(29-22-14-16(4)12-13-26-22)27-20(6-2)25(28-19)30-23-18-11-9-8-10-17(18)15-21(23)31-7-3/h8-14,21,23H,5-7,15H2,1-4H3,(H,28,30)(H,26,27,29)/t21-,23+/m0/s1
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| InChIKey |
QOCSJPNHPYALAG-JTHBVZDNSA-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