General Information of the Compound
| Compound ID |
CP0457931
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| Compound Name |
N-[(1R,2S)-2-(3,6-dimethylpyrazin-2-yl)oxy-2,3-dihydro-1H-inden-1-yl]-3,6-dimethyl-5-(4-methylpyridin-2-yl)oxypyrazin-2-amine
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
Cc1ccnc(Oc2nc(C)c(N[C@H]3[C@H](Cc4ccccc34)Oc3nc(C)cnc3C)nc2C)c1
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| InChI |
InChI=1S/C27H28N6O2/c1-15-10-11-28-23(12-15)35-27-19(5)31-25(17(3)32-27)33-24-21-9-7-6-8-20(21)13-22(24)34-26-18(4)29-14-16(2)30-26/h6-12,14,22,24H,13H2,1-5H3,(H,31,33)/t22-,24+/m0/s1
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| InChIKey |
DJZUDIXXYGBMFU-LADGPHEKSA-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