General Information of the Compound
| Compound ID |
CP0525777
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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-methoxyphenyl)urea
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
COc1cccc(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/C28H34N4O3/c1-35-26-7-3-6-23(16-26)30-27(34)32(13-12-31-11-9-25(33)19-31)24-8-10-28(17-22(28)15-24)21-5-2-4-20(14-21)18-29/h2-7,14,16,22,24-25,33H,8-13,15,17,19H2,1H3,(H,30,34)/t22?,24-,25-,28-/m1/s1
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| InChIKey |
KKSUGOFUOUUNLT-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