General Information of the Compound
| Compound ID |
CP0424351
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| Compound Name |
3-(3-bromophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C27H31BrN4O2
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| Molecular Weight |
523.475
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2cccc(Br)c2)C1
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| InChI |
InChI=1S/C27H31BrN4O2/c28-22-5-2-6-23(15-22)30-26(34)32(12-11-31-10-8-25(33)18-31)24-7-9-27(16-21(27)14-24)20-4-1-3-19(13-20)17-29/h1-6,13,15,21,24-25,33H,7-12,14,16,18H2,(H,30,34)/t21?,24-,25-,27-/m1/s1
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| InChIKey |
WVYKSNNPXHSIPD-NQNRRTGLSA-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