General Information of the Compound
| Compound ID |
CP0506292
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| Compound Name |
(S)-5-(4-(allyloxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenyl-4-(piperidin-4-yloxy)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C30H37N5O7
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| Molecular Weight |
579.654
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cc(OC2CCNCC2)cc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC=C
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| InChI |
InChI=1S/C30H37N5O7/c1-2-18-41-30(40)35-16-14-34(15-17-35)29(39)24(8-9-27(36)37)33-28(38)26-20-23(42-22-10-12-31-13-11-22)19-25(32-26)21-6-4-3-5-7-21/h2-7,19-20,22,24,31H,1,8-18H2,(H,33,38)(H,36,37)/t24-/m0/s1
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| InChIKey |
FEFQVXYMUHXXDG-DEOSSOPVSA-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