General Information of the Compound
| Compound ID |
CP0102510
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| Compound Name |
9H-Xanthene-9-carboxylic acid (1-cyclooctylmethyl-piperidin-4-yl)-amide
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| Structure |
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| Formula |
C28H36N2O2
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| Molecular Weight |
432.608
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| Canonical SMILES |
O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)
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| InChIKey |
OCSQKSSLYYSHOM-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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