General Information of the Compound
| Compound ID |
CP0292246
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| Compound Name |
9H-Xanthene-9-carboxylic acid (1-hexyl-piperidin-4-yl)-amide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CCCCCCN1CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C25H32N2O2/c1-2-3-4-9-16-27-17-14-19(15-18-27)26-25(28)24-20-10-5-7-12-22(20)29-23-13-8-6-11-21(23)24/h5-8,10-13,19,24H,2-4,9,14-18H2,1H3,(H,26,28)
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| InChIKey |
ZSBQWSHGCMDNMD-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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