General Information of the Compound
| Compound ID |
CP0373535
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| Compound Name |
4-(4-(3-(methoxymethyl)pyrrolidin-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(CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(COC)C1
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| InChI |
InChI=1S/C33H45N5O7/c1-3-4-8-19-45-33(43)37-17-15-36(16-18-37)32(42)27(11-12-30(39)40)35-31(41)29-21-26(38-14-13-24(22-38)23-44-2)20-28(34-29)25-9-6-5-7-10-25/h5-7,9-10,20-21,24,27H,3-4,8,11-19,22-23H2,1-2H3,(H,35,41)(H,39,40)
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| InChIKey |
CWDIMLKYILDHMH-UHFFFAOYSA-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