General Information of the Compound
| Compound ID |
CP0573225
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| Compound Name |
N-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-yl-6-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
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| Structure |
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| Formula |
C24H29N5O2S
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| Molecular Weight |
451.596
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| Canonical SMILES |
Cc1cccc(CNc2cc(cc(CSc3nc4CCCCc4o3)n2)N2CCOCC2)n1
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| InChI |
InChI=1S/C24H29N5O2S/c1-17-5-4-6-18(26-17)15-25-23-14-20(29-9-11-30-12-10-29)13-19(27-23)16-32-24-28-21-7-2-3-8-22(21)31-24/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,25,27)
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| InChIKey |
BPJLIMPTBHRRCY-UHFFFAOYSA-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