General Information of the Compound
| Compound ID |
CP0156502
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| Compound Name |
2-(3,4-dichloro-N-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]anilino)acetonitrile
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| Structure |
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| Formula |
C26H30Cl2N4O
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| Molecular Weight |
485.459
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| Canonical SMILES |
Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C26H30Cl2N4O/c27-23-11-10-21(17-24(23)28)31(16-12-29)19-26(33)32-15-6-9-22(20-7-2-1-3-8-20)25(32)18-30-13-4-5-14-30/h1-3,7-8,10-11,17,22,25H,4-6,9,13-16,18-19H2
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| InChIKey |
PZHLUEBYOAPSNB-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