General Information of the Compound
| Compound ID |
CP0496561
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(3-methylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-[3-(4-methylpiperazin-1-yl)propyl]urea
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| Structure |
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| Formula |
C28H36ClFN4O
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| Molecular Weight |
499.074
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| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(C)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H36ClFN4O/c1-20-5-3-6-21(17-20)28-10-9-26(23(28)19-28)34(12-4-11-33-15-13-32(2)14-16-33)27(35)31-22-7-8-25(30)24(29)18-22/h3,5-8,17-18,23,26H,4,9-16,19H2,1-2H3,(H,31,35)/t23-,26-,28-/m1/s1
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| InChIKey |
XXDNNAGREZBRMJ-KODFZCBSSA-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