General Information of the Compound
| Compound ID |
CP0411393
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| Compound Name |
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]urea
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| Structure |
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| Formula |
C29H32N6O2S
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| Molecular Weight |
528.682
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| Canonical SMILES |
O=C(Nc1nccc(n1)-c1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C29H32N6O2S/c36-29(33-28-31-13-11-26(32-28)27-30-14-22-38-27)35(17-16-34-18-20-37-21-19-34)15-12-25(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-11,13-14,22,25H,12,15-21H2,(H,31,32,33,36)
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| InChIKey |
ORUOLRHRKNXXRV-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