General Information of the Compound
| Compound ID |
CP0084969
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| Compound Name |
4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
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| InChI |
InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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| InChIKey |
ZYBLSQVXWVJACW-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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