General Information of the Compound
| Compound ID |
CP0497221
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| Compound Name |
4-[(N-Cyclohexyl-4-pyrimidin-2-yl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C30H35Cl2N7O
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| Molecular Weight |
580.564
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| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCN(CC3)c3ncccn3)cc2)c(Cl)c1
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| InChI |
InChI=1S/C30H35Cl2N7O/c31-24-10-7-22(27(32)21-24)13-16-33-28(40)23-8-11-26(12-9-23)37-30(36-25-5-2-1-3-6-25)39-19-17-38(18-20-39)29-34-14-4-15-35-29/h4,7-12,14-15,21,25H,1-3,5-6,13,16-20H2,(H,33,40)(H,36,37)
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| InChIKey |
DLSWARUAQKVVQG-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