General Information of the Compound
| Compound ID |
CP0475163
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)ethyl)-3-(3-nitrophenyl)urea
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| Structure |
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| Formula |
C27H31N5O4
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| Molecular Weight |
489.576
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2cccc(c2)[N+]([O-])=O)C1
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| InChI |
InChI=1S/C27H31N5O4/c28-17-19-3-1-4-20(13-19)27-9-7-23(14-21(27)16-27)31(12-11-30-10-8-25(33)18-30)26(34)29-22-5-2-6-24(15-22)32(35)36/h1-6,13,15,21,23,25,33H,7-12,14,16,18H2,(H,29,34)/t21?,23-,25-,27-/m1/s1
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| InChIKey |
FZRXHDHNEYTLBN-HNYLCNJKSA-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