General Information of the Compound
| Compound ID |
CP0470903
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(piperidin-4-ylmethoxy)pyridin-2-yl]carbonyl}amino)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(OCC2CCNCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H45N5O7/c1-2-3-7-20-44-33(43)38-18-16-37(17-19-38)32(42)27(10-11-30(39)40)36-31(41)29-22-26(45-23-24-12-14-34-15-13-24)21-28(35-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,34H,2-3,7,10-20,23H2,1H3,(H,36,41)(H,39,40)/t27-/m0/s1
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| InChIKey |
ULIUVTMKMDUBGV-MHZLTWQESA-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