General Information of the Compound
| Compound ID |
CP0526330
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| Compound Name |
(4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phenylpyridin-2-yl}carbonyl)mino]-5-[4-(butoxycarbonyl)piperazin-1-yl]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C34H45N5O8
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| Molecular Weight |
651.761
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)=O)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H45N5O8/c1-3-4-20-46-34(45)39-18-16-38(17-19-39)33(44)28(10-11-31(41)42)36-32(43)30-22-27(21-29(35-30)26-8-6-5-7-9-26)47-23-25-12-14-37(15-13-25)24(2)40/h5-9,21-22,25,28H,3-4,10-20,23H2,1-2H3,(H,36,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
VQUIRSILZWAWHP-NDEPHWFRSA-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