General Information of the Compound
| Compound ID |
CP0904828
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| Compound Name |
dimethyl3,5-dimethyl-1-{3-nitrileimino[3-(4-phenylhexahydro-1-pyridinyl)propylamino]methylaminophenyl}-1,4-dihydro-2,6-pyrazinedicarboxylate
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| Formula |
C32H39N7O4
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| Molecular Weight |
585.709
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(=N/CCCN2CCC(c3ccccc3)CC2)NC#N)c1
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| InChI |
InChI=1S/C32H39N7O4/c1-22-28(30(40)42-3)39(29(23(2)36-22)31(41)43-4)27-13-8-12-26(20-27)37-32(35-21-33)34-16-9-17-38-18-14-25(15-19-38)24-10-6-5-7-11-24/h5-8,10-13,20,25,40H,9,14-19H2,1-4H3,(H2,34,35,37)/b30-28+
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| InChIKey |
LZERAHYBYRQPGL-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