General Information of the Compound
| Compound ID |
CP0303192
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| Compound Name |
(S)-4-(6-(4-carbamoylpiperidin-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 |
C32H43N7O7
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| Molecular Weight |
637.738
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O
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| InChI |
InChI=1S/C32H43N7O7/c1-2-3-7-20-46-32(45)39-18-16-38(17-19-39)31(44)24(10-11-27(40)41)35-30(43)25-21-26(37-14-12-22(13-15-37)28(33)42)36-29(34-25)23-8-5-4-6-9-23/h4-6,8-9,21-22,24H,2-3,7,10-20H2,1H3,(H2,33,42)(H,35,43)(H,40,41)/t24-/m0/s1
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| InChIKey |
MUDTZJSGMBHOTM-DEOSSOPVSA-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