General Information of the Compound
| Compound ID |
CP0491247
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| Compound Name |
(S)-4-(4-(1-isopropylpiperidin-4-ylamino)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H49N7O6
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| Molecular Weight |
651.809
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(NC2CCN(CC2)C(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H49N7O6/c1-4-5-9-22-47-34(46)41-20-18-40(19-21-41)33(45)27(12-13-30(42)43)37-32(44)31-36-28(25-10-7-6-8-11-25)23-29(38-31)35-26-14-16-39(17-15-26)24(2)3/h6-8,10-11,23-24,26-27H,4-5,9,12-22H2,1-3H3,(H,37,44)(H,42,43)(H,35,36,38)/t27-/m0/s1
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| InChIKey |
OUOSWWMTGSDTPW-MHZLTWQESA-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