General Information of the Compound
| Compound ID |
CP0528615
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3-fluoro-4-methylphenyl)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C28H33FN4O2
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| Molecular Weight |
476.596
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| Canonical SMILES |
Cc1ccc(NC(=O)N(CCN2CC[C@@H](O)C2)[C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)cc1F
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| InChI |
InChI=1S/C28H33FN4O2/c1-19-5-6-23(15-26(19)29)31-27(35)33(12-11-32-10-8-25(34)18-32)24-7-9-28(16-22(28)14-24)21-4-2-3-20(13-21)17-30/h2-6,13,15,22,24-25,34H,7-12,14,16,18H2,1H3,(H,31,35)/t22?,24-,25-,28-/m1/s1
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| InChIKey |
BUBVKAPGUNTLPP-IOEZVVHUSA-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