General Information of the Compound
| Compound ID |
CP0125749
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H30Cl2N4O
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| Molecular Weight |
413.393
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| Canonical SMILES |
CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1
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| InChIKey |
MRWPMHPRTUDIMC-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