General Information of the Compound
| Compound ID |
CP0441096
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C17H23Cl2N5O2
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| Molecular Weight |
400.31
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| Canonical SMILES |
CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1
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| InChIKey |
AGOIHCOCOBMQTP-OAHLLOKOSA-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