General Information of the Compound
| Compound ID |
CP0502771
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| Compound Name |
(S)-4-(4-(3-morpholinopropoxy)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H46N6O8
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| Molecular Weight |
654.765
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(OCCCN2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)30-34-27(25-9-5-4-6-10-25)24-28(36-30)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1
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| InChIKey |
IFJJFBIHRGTSBT-SANMLTNESA-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