General Information of the Compound
| Compound ID |
CP0434060
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| Compound Name |
1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phenyl)-butyl]-3-m-tolyl-urea
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| Structure |
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| Formula |
C28H38Cl2N4O
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| Molecular Weight |
517.545
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| Canonical SMILES |
Cc1cccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C28H38Cl2N4O/c1-21-6-5-7-24(18-21)32-28(35)31-20-23(22-8-9-26(29)27(30)19-22)10-15-33-16-11-25(12-17-33)34-13-3-2-4-14-34/h5-9,18-19,23,25H,2-4,10-17,20H2,1H3,(H2,31,32,35)
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| InChIKey |
KIGNGGYJNXGYFO-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