General Information of the Compound
| Compound ID |
CP0860168
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| Compound Name |
dimethyl2,6-dimethyl-4-{3-nitrileimino[3-(4-phenylhexahydro-1-pyridinyl)propylamino]methylaminophenyl}-1,4-dihydro-3,5-pyridinedicarboxylate
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| Formula |
C33H40N6O4
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| Molecular Weight |
584.721
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCCN2CCC(c3ccccc3)CC2)NC#N)c1
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| InChI |
InChI=1S/C33H40N6O4/c1-22-28(31(40)42-3)30(29(23(2)37-22)32(41)43-4)26-12-8-13-27(20-26)38-33(36-21-34)35-16-9-17-39-18-14-25(15-19-39)24-10-6-5-7-11-24/h5-8,10-13,20,25,30,40H,9,14-19H2,1-4H3,(H2,35,36,38)/b31-28+
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| InChIKey |
KERVGYRIIAQCCZ-CCFHIKDMSA-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