General Information of the Compound
| Compound ID |
CP0522658
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((E)-(ethoxyimino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
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| Structure |
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| Formula |
C31H42ClFN4O2
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| Molecular Weight |
557.154
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| Canonical SMILES |
CCO\N=C\c1cccc(c1)[C@@]12CC1C[C@@H](CC2)N(CCN(C(C)C)C(C)C)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C31H42ClFN4O2/c1-6-39-34-20-23-8-7-9-24(16-23)31-13-12-27(17-25(31)19-31)37(15-14-36(21(2)3)22(4)5)30(38)35-26-10-11-29(33)28(32)18-26/h7-11,16,18,20-22,25,27H,6,12-15,17,19H2,1-5H3,(H,35,38)/b34-20+/t25?,27-,31-/m1/s1
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| InChIKey |
IMOWHCDISGXWPA-LUNAVPNHSA-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