General Information of the Compound
| Compound ID |
CP0290747
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[(2R)-4-ethylpiperazine-2-carbonyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C18H25Cl2N5O2
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| Molecular Weight |
414.337
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| Canonical SMILES |
CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1
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| InChIKey |
ZROZNHFYOJBHID-MRXNPFEDSA-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