General Information of the Compound
| Compound ID |
CP0881609
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| Compound Name |
2,6-Dimethyl-4-{3-[3-(3-piperidin-1-yl-propyl)-ureido]-phenyl}-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
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| Formula |
C26H36N4O5
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| Molecular Weight |
484.597
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCCCC2)c1
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| InChI |
InChI=1S/C26H36N4O5/c1-17-21(24(31)34-3)23(22(18(2)28-17)25(32)35-4)19-10-8-11-20(16-19)29-26(33)27-12-9-15-30-13-6-5-7-14-30/h8,10-11,16,23,31H,5-7,9,12-15H2,1-4H3,(H2,27,29,33)/b24-21+
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| InChIKey |
JROZUFVJQIFNMK-DARPEHSRSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound