General Information of the Compound
| Compound ID |
CP0301810
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| Compound Name |
9H-Xanthene-9-carboxylic acid (1-naphthalen-2-ylmethyl-piperidin-4-yl)-amide
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| Structure |
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| Formula |
C30H28N2O2
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| Molecular Weight |
448.566
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C30H28N2O2/c33-30(29-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)29)31-24-15-17-32(18-16-24)20-21-13-14-22-7-1-2-8-23(22)19-21/h1-14,19,24,29H,15-18,20H2,(H,31,33)
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| InChIKey |
KBWHPZXDEAFLDF-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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