General Information of the Compound
| Compound ID |
CP0431500
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| Compound Name |
(S)-4-(4-(diethylamino)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H37N5O6
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| Molecular Weight |
539.633
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(CC)CC
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| InChI |
InChI=1S/C28H37N5O6/c1-4-31(5-2)21-18-23(20-10-8-7-9-11-20)29-24(19-21)26(36)30-22(12-13-25(34)35)27(37)32-14-16-33(17-15-32)28(38)39-6-3/h7-11,18-19,22H,4-6,12-17H2,1-3H3,(H,30,36)(H,34,35)/t22-/m0/s1
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| InChIKey |
OKKXRWPAEVRAQO-QFIPXVFZSA-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