General Information of the Compound
| Compound ID |
CP0496562
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-[4-(trifluoromethoxy)phenyl]-2-bicyclo[3.1.0]hexanyl]urea
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| Structure |
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| Formula |
C28H33ClF4N4O2
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| Molecular Weight |
569.043
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| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H33ClF4N4O2/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-20-5-8-24(30)23(29)17-20)25-9-10-27(18-22(25)27)19-3-6-21(7-4-19)39-28(31,32)33/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,34,38)/t22-,25-,27-/m1/s1
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| InChIKey |
CUAOLPFNRIMUNG-AVPJRLCVSA-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