General Information of the Compound
| Compound ID |
CP0498703
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| Compound Name |
(4S)-4-(4-(3-methoxypiperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H45N5O7
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| Molecular Weight |
623.751
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(C1)OC
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| InChI |
InChI=1S/C33H45N5O7/c1-3-4-8-20-45-33(43)37-18-16-36(17-19-37)32(42)27(13-14-30(39)40)35-31(41)29-22-25(38-15-9-12-26(23-38)44-2)21-28(34-29)24-10-6-5-7-11-24/h5-7,10-11,21-22,26-27H,3-4,8-9,12-20,23H2,1-2H3,(H,35,41)(H,39,40)/t26?,27-/m0/s1
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| InChIKey |
BENZZVSVNAGPOJ-GEVKEYJPSA-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