General Information of the Compound
| Compound ID |
CP0465112
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((E)-(methoxyimino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
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| Structure |
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| Formula |
C30H40ClFN4O2
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| Molecular Weight |
543.127
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| Canonical SMILES |
CO\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/C30H40ClFN4O2/c1-20(2)35(21(3)4)13-14-36(29(37)34-25-9-10-28(32)27(31)17-25)26-11-12-30(18-24(30)16-26)23-8-6-7-22(15-23)19-33-38-5/h6-10,15,17,19-21,24,26H,11-14,16,18H2,1-5H3,(H,34,37)/b33-19+/t24?,26-,30-/m1/s1
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| InChIKey |
AMRCVMXHDLSWKR-MBVDHQLWSA-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