General Information of the Compound
| Compound ID |
CP0081060
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| Compound Name |
4-[4-(2-ethylimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
CCc1nccn1-c1nc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
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| InChI |
InChI=1S/C20H21N7O/c1-2-17-22-8-9-27(17)20-24-18(15-4-3-5-16-14(15)6-7-21-16)23-19(25-20)26-10-12-28-13-11-26/h3-9,21H,2,10-13H2,1H3
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| InChIKey |
KSXKHJWAISWHSH-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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