General Information of the Compound
| Compound ID |
CP0514340
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| Compound Name |
(4S)4-({[4-(Dipropylamino)6-phenylpyridin-2-yl]carbonyl}-amino)5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C30H41N5O6
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| Molecular Weight |
567.687
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| Canonical SMILES |
CCCN(CCC)c1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C30H41N5O6/c1-4-14-33(15-5-2)23-20-25(22-10-8-7-9-11-22)31-26(21-23)28(38)32-24(12-13-27(36)37)29(39)34-16-18-35(19-17-34)30(40)41-6-3/h7-11,20-21,24H,4-6,12-19H2,1-3H3,(H,32,38)(H,36,37)/t24-/m0/s1
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| InChIKey |
WEADOHKTUXZFLK-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