General Information of the Compound
| Compound ID |
CP0501332
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| Compound Name |
4-[(N-Cyclohexyl-4-phenyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C32H37Cl2N5O
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| Molecular Weight |
578.588
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| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCN(CC3)c3ccccc3)cc2)c(Cl)c1
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| InChI |
InChI=1S/C32H37Cl2N5O/c33-26-14-11-24(30(34)23-26)17-18-35-31(40)25-12-15-28(16-13-25)37-32(36-27-7-3-1-4-8-27)39-21-19-38(20-22-39)29-9-5-2-6-10-29/h2,5-6,9-16,23,27H,1,3-4,7-8,17-22H2,(H,35,40)(H,36,37)
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| InChIKey |
XMUPUYAWRNUGJZ-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