General Information of the Compound
| Compound ID |
CP0379064
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| Compound Name |
3-(benzo[d][1,3]dioxol-5-yl)-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 |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C28H32N4O4/c29-16-19-2-1-3-20(12-19)28-8-6-23(13-21(28)15-28)32(11-10-31-9-7-24(33)17-31)27(34)30-22-4-5-25-26(14-22)36-18-35-25/h1-5,12,14,21,23-24,33H,6-11,13,15,17-18H2,(H,30,34)/t21?,23-,24-,28-/m1/s1
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| InChIKey |
HNKGQFCSTNCCEX-QOGPKIFWSA-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