General Information of the Compound
| Compound ID |
CP0040436
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| Compound Name |
5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-N,2,6-trimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
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| Structure |
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| Formula |
C36H41N5O4
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| Molecular Weight |
607.755
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| Canonical SMILES |
CNC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H41N5O4/c1-25-31(34(42)37-3)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-10-22-40-23-19-36(20-24-40,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,39H,10,19-24H2,1-3H3,(H,37,42)(H,38,43)
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| InChIKey |
YMSCVVXGMWMEMM-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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