General Information of the Compound
| Compound ID |
CP0452728
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| Compound Name |
(4S)-4-(4-(3-(methoxymethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H47N5O7
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| Molecular Weight |
637.778
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(COC)C1
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| InChI |
InChI=1S/C34H47N5O7/c1-3-4-8-20-46-34(44)38-18-16-37(17-19-38)33(43)28(13-14-31(40)41)36-32(42)30-22-27(39-15-9-10-25(23-39)24-45-2)21-29(35-30)26-11-6-5-7-12-26/h5-7,11-12,21-22,25,28H,3-4,8-10,13-20,23-24H2,1-2H3,(H,36,42)(H,40,41)/t25?,28-/m0/s1
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| InChIKey |
BCYVQKJKMUUCCP-NMXAJACMSA-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