General Information of the Compound
| Compound ID |
CP0427523
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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-phenylurea
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccccc2)C1
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| InChI |
InChI=1S/C27H32N4O2/c28-18-20-5-4-6-21(15-20)27-11-9-24(16-22(27)17-27)31(14-13-30-12-10-25(32)19-30)26(33)29-23-7-2-1-3-8-23/h1-8,15,22,24-25,32H,9-14,16-17,19H2,(H,29,33)/t22?,24-,25-,27-/m1/s1
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| InChIKey |
DRPGQYSTMQANNY-GHXDGQGBSA-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