General Information of the Compound
| Compound ID |
CP0467787
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| Compound Name |
3,6-dimethyl-5-(4-methylpyridin-2-yl)oxy-N-[(1R,2S)-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
CC(C)O[C@H]1Cc2ccccc2[C@H]1Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
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| InChI |
InChI=1S/C24H28N4O2/c1-14(2)29-20-13-18-8-6-7-9-19(18)22(20)28-23-16(4)27-24(17(5)26-23)30-21-12-15(3)10-11-25-21/h6-12,14,20,22H,13H2,1-5H3,(H,26,28)/t20-,22+/m0/s1
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| InChIKey |
DKFKFEAWFWGNOM-RBBKRZOGSA-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