General Information of the Compound
| Compound ID |
CP0067276
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| Compound Name |
(2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N-(1-methylethyl)ethanamide
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| Structure |
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| Formula |
C30H35N3O4
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| Molecular Weight |
501.627
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| Canonical SMILES |
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc3occc3c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C30H35N3O4/c1-17(2)13-24-28(34)32-26(23-14-19-7-5-6-8-20(19)15-23)30(36)33(24)27(29(35)31-18(3)4)22-9-10-25-21(16-22)11-12-37-25/h5-12,16-18,23-24,26-27H,13-15H2,1-4H3,(H,31,35)(H,32,34)/t24-,26-,27-/m1/s1
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| InChIKey |
DIHNBIJLWDSARE-ZRJLEYOISA-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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