General Information of the Compound
| Compound ID |
CP0442099
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| Compound Name |
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea
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| Structure |
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| Formula |
C33H36N4O2
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| Molecular Weight |
520.677
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C33H36N4O2/c38-33(35-31-15-7-13-29(25-31)30-14-8-17-34-26-30)37(20-19-36-21-23-39-24-22-36)18-16-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-15,17,25-26,32H,16,18-24H2,(H,35,38)
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| InChIKey |
LKLSIUSCBYEVGV-UHFFFAOYSA-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