General Information of the Compound
| Compound ID |
CP0524022
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| Compound Name |
3-(1-benzylbenzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C36H39N5O2
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| Molecular Weight |
573.741
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n1Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C36H39N5O2/c42-36(38-35-37-33-18-10-11-19-34(33)41(35)28-29-12-4-1-5-13-29)40(23-22-39-24-26-43-27-25-39)21-20-32(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,32H,20-28H2,(H,37,38,42)
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| InChIKey |
AADMBJQKWWIIBC-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