General Information of the Compound
| Compound ID |
CP0529853
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| Compound Name |
(S)-4-(6-(4-(2-methoxyethyl)piperazin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H47N7O7
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| Molecular Weight |
653.781
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CCOC)CC1
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| InChI |
InChI=1S/C33H47N7O7/c1-3-4-8-22-47-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)35-31(43)27-24-28(36-30(34-27)25-9-6-5-7-10-25)38-15-13-37(14-16-38)21-23-46-2/h5-7,9-10,24,26H,3-4,8,11-23H2,1-2H3,(H,35,43)(H,41,42)/t26-/m0/s1
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| InChIKey |
PTRCCHACZNXFNJ-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