General Information of the Compound
| Compound ID |
CP0439132
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| Compound Name |
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyrazin-2-ylurea
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| Structure |
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
O=C(Nc1cnccn1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C26H31N5O2/c32-26(29-25-21-27-12-13-28-25)31(16-15-30-17-19-33-20-18-30)14-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,12-13,21,24H,11,14-20H2,(H,28,29,32)
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| InChIKey |
BYQUSZHLGHLHGK-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