General Information of the Compound
| Compound ID |
CP0180184
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| Compound Name |
1-[4-Cyclopentylamino-2-(4-pyridin-3-yl-phenyl)-butyl]-3-(3,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C27H30Cl2N4O
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| Molecular Weight |
497.47
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccnc2)c1
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| InChI |
InChI=1S/C27H30Cl2N4O/c28-23-14-24(29)16-26(15-23)33-27(34)32-18-22(11-13-31-25-5-1-2-6-25)20-9-7-19(8-10-20)21-4-3-12-30-17-21/h3-4,7-10,12,14-17,22,25,31H,1-2,5-6,11,13,18H2,(H2,32,33,34)
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| InChIKey |
HASYELTZODRLEM-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