General Information of the Compound
| Compound ID |
CP0050197
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C19H28Cl2N4O2
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| Molecular Weight |
415.365
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| Canonical SMILES |
CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1
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| InChIKey |
ZNBMAQXAVPNARC-INIZCTEOSA-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