General Information of the Compound
| Compound ID |
CP0916659
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| Compound Name |
(S)-4-Methyl-2-(3-phenyl-ureido)-pentanoic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C29H43N5O3
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| Molecular Weight |
509.695
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C29H43N5O3/c1-22(2)19-27(32-29(36)31-24-9-6-5-7-10-24)28(35)30-25-15-17-34(21-25)20-23-11-13-26(14-12-23)37-18-8-16-33(3)4/h5-7,9-14,22,25,27H,8,15-21H2,1-4H3,(H,30,35)(H2,31,32,36)/t25-,27-/m0/s1
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| InChIKey |
SEGOHOHUUXEXJV-BDYUSTAISA-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