General Information of the Compound
| Compound ID |
CP0497385
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| Compound Name |
4-[(4-Benzyl-N-cyclohexyl-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
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| Structure |
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| Formula |
C33H39Cl2N5O
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| Molecular Weight |
592.615
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| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1
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| InChI |
InChI=1S/C33H39Cl2N5O/c34-28-14-11-26(31(35)23-28)17-18-36-32(41)27-12-15-30(16-13-27)38-33(37-29-9-5-2-6-10-29)40-21-19-39(20-22-40)24-25-7-3-1-4-8-25/h1,3-4,7-8,11-16,23,29H,2,5-6,9-10,17-22,24H2,(H,36,41)(H,37,38)
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| InChIKey |
NMOWMIYPBSOAOQ-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