General Information of the Compound
| Compound ID |
CP0496767
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| Compound Name |
4-[(N-Cyclohexyl-4-pyrrolidin-1-yl-piperidine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C31H41Cl2N5O
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| Molecular Weight |
570.609
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| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCC(CC3)N3CCCC3)cc2)c(Cl)c1
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| InChI |
InChI=1S/C31H41Cl2N5O/c32-25-11-8-23(29(33)22-25)14-17-34-30(39)24-9-12-27(13-10-24)36-31(35-26-6-2-1-3-7-26)38-20-15-28(16-21-38)37-18-4-5-19-37/h8-13,22,26,28H,1-7,14-21H2,(H,34,39)(H,35,36)
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| InChIKey |
XLMHZNWBXAHDDE-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