General Information of the Compound
| Compound ID |
CP0848289
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| Compound Name |
1-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-propyl}-ureido)-phenyl]-3,5-dimethyl-1,4-dihydro-pyrazine-2,6-dicarboxylic acid dimethyl ester
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| Formula |
C32H41N5O6
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| Molecular Weight |
591.709
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1
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| InChI |
InChI=1S/C32H41N5O6/c1-21-28(30(38)42-4)37(29(22(2)34-21)31(39)43-5)26-11-7-10-25(20-26)35-32(40)33-15-8-16-36-17-13-23(14-18-36)24-9-6-12-27(19-24)41-3/h6-7,9-12,19-20,23,38H,8,13-18H2,1-5H3,(H2,33,35,40)/b30-28+
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| InChIKey |
NPRPVNMIHUVFLC-SJCQXOIGSA-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