General Information of the Compound
| Compound ID |
CP0931937
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| Compound Name |
2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperidin-1-yl)-propyl]-ureido}-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
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| Formula |
C33H42N4O5
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| Molecular Weight |
574.722
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C33H42N4O5/c1-5-42-32(39)29-23(3)35-22(2)28(31(38)41-4)30(29)26-13-9-14-27(21-26)36-33(40)34-17-10-18-37-19-15-25(16-20-37)24-11-7-6-8-12-24/h6-9,11-14,21,25,30,39H,5,10,15-20H2,1-4H3,(H2,34,36,40)/b32-29+
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| InChIKey |
PJRQMRHTTDMHGX-UUDCSCGESA-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