General Information of the Compound
| Compound ID |
CP0399586
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| Compound Name |
N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-(3-methylphenoxy)pyrazin-2-amine
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| Structure |
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)c2)nc1CC
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| InChI |
InChI=1S/C26H31N3O2/c1-5-21-25(29-24-20-14-9-8-12-18(20)16-23(24)30-7-3)27-22(6-2)26(28-21)31-19-13-10-11-17(4)15-19/h8-15,23-24H,5-7,16H2,1-4H3,(H,27,29)/t23-,24+/m0/s1
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| InChIKey |
DMQLXMXYNAJBCN-BJKOFHAPSA-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