General Information of the Compound
| Compound ID |
CP0255526
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| Compound Name |
1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1-yl)piperidine-1-carbonyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C37H45N5O3
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| Molecular Weight |
607.799
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C37H45N5O3/c1-26-4-8-29(9-5-26)34-24-32(25-35(38-34)30-10-6-27(2)7-11-30)37(45)42-22-20-40(21-23-42)33-14-18-41(19-15-33)36(44)31-12-16-39(17-13-31)28(3)43/h4-11,24-25,31,33H,12-23H2,1-3H3
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| InChIKey |
YZIRPGUREXXEJC-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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