General Information of the Compound
| Compound ID |
CP0421649
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-({[4-(4-hydroxypiperidin-1-yl)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
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| Structure |
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| Formula |
C29H37N5O7
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| Molecular Weight |
567.643
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(O)CC1
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| InChI |
InChI=1S/C29H37N5O7/c1-2-41-29(40)34-16-14-33(15-17-34)28(39)23(8-9-26(36)37)31-27(38)25-19-21(32-12-10-22(35)11-13-32)18-24(30-25)20-6-4-3-5-7-20/h3-7,18-19,22-23,35H,2,8-17H2,1H3,(H,31,38)(H,36,37)/t23-/m0/s1
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| InChIKey |
UKCKBFFQALLERC-QHCPKHFHSA-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