General Information of the Compound
| Compound ID |
CP0427450
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-(((S)-3-hydroxypyrrolidin-1-yl)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
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| Structure |
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| Formula |
C33H46ClFN4O2
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| Molecular Weight |
585.208
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(CN2CC[C@H](O)C2)c1)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C
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| InChI |
InChI=1S/C33H46ClFN4O2/c1-22(2)38(23(3)4)14-15-39(32(41)36-27-8-9-31(35)30(34)18-27)28-10-12-33(19-26(33)17-28)25-7-5-6-24(16-25)20-37-13-11-29(40)21-37/h5-9,16,18,22-23,26,28-29,40H,10-15,17,19-21H2,1-4H3,(H,36,41)/t26?,28-,29+,33-/m1/s1
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| InChIKey |
BDQHGDPMNLDROP-LYKLEHPFSA-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