General Information of the Compound
| Compound ID |
CP0464680
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| Compound Name |
N-[3-[[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]amino]propyl]-1-methylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C21H27Cl2N5O2
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| Molecular Weight |
452.386
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| Canonical SMILES |
CN1CCCC(C1)C(=O)NCCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C21H27Cl2N5O2/c1-28-11-2-4-15(13-28)20(29)24-8-3-9-25-21-26-10-7-19(27-21)30-14-16-5-6-17(22)12-18(16)23/h5-7,10,12,15H,2-4,8-9,11,13-14H2,1H3,(H,24,29)(H,25,26,27)
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| InChIKey |
AZHLRQZEGDQSJG-UHFFFAOYSA-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