General Information of the Compound
| Compound ID |
CP0379067
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| Compound Name |
3-(3-cyanophenyl)-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 |
C28H31N5O2
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| Molecular Weight |
469.589
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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)C#N)C1
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| InChI |
InChI=1S/C28H31N5O2/c29-17-20-3-1-5-22(13-20)28-9-7-25(15-23(28)16-28)33(12-11-32-10-8-26(34)19-32)27(35)31-24-6-2-4-21(14-24)18-30/h1-6,13-14,23,25-26,34H,7-12,15-16,19H2,(H,31,35)/t23?,25-,26-,28-/m1/s1
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| InChIKey |
JJGWCKOXSNTSOU-XUVQLZOISA-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