General Information of the Compound
| Compound ID |
CP0949523
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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 dimethyl ester
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| Formula |
C32H40N4O5
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| Molecular Weight |
560.695
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C32H40N4O5/c1-21-27(30(37)40-3)29(28(22(2)34-21)31(38)41-4)25-12-8-13-26(20-25)35-32(39)33-16-9-17-36-18-14-24(15-19-36)23-10-6-5-7-11-23/h5-8,10-13,20,24,29,37H,9,14-19H2,1-4H3,(H2,33,35,39)/b30-27+
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| InChIKey |
RUWSRYAWUBPMPO-KDJFERLWSA-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