General Information of the Compound
| Compound ID |
CP0379063
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3,5-dimethylphenyl)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
Cc1cc(C)cc(NC(=O)N(CCN2CC[C@@H](O)C2)[C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C29H36N4O2/c1-20-12-21(2)14-25(13-20)31-28(35)33(11-10-32-9-7-27(34)19-32)26-6-8-29(17-24(29)16-26)23-5-3-4-22(15-23)18-30/h3-5,12-15,24,26-27,34H,6-11,16-17,19H2,1-2H3,(H,31,35)/t24?,26-,27-,29-/m1/s1
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| InChIKey |
QHDWECHIZQEQSB-YZUVOLLESA-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