General Information of the Compound
| Compound ID |
CP0439519
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-((1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C32H38ClFN4O2
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| Molecular Weight |
565.133
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CC2CCN(CC2)C2CCOCC2)[C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)cc1Cl
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| InChI |
InChI=1S/C32H38ClFN4O2/c33-29-18-26(4-5-30(29)34)36-31(39)38(21-22-7-12-37(13-8-22)27-9-14-40-15-10-27)28-6-11-32(19-25(32)17-28)24-3-1-2-23(16-24)20-35/h1-5,16,18,22,25,27-28H,6-15,17,19,21H2,(H,36,39)/t25?,28-,32-/m1/s1
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| InChIKey |
DBKHVWOXHXKVIF-ZXVOXEBXSA-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