General Information of the Compound
| Compound ID |
CP0470941
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenyl-4-piperidin-1-ylpyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C29H37N5O6
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| Molecular Weight |
551.644
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C29H37N5O6/c1-2-40-29(39)34-17-15-33(16-18-34)28(38)23(11-12-26(35)36)31-27(37)25-20-22(32-13-7-4-8-14-32)19-24(30-25)21-9-5-3-6-10-21/h3,5-6,9-10,19-20,23H,2,4,7-8,11-18H2,1H3,(H,31,37)(H,35,36)/t23-/m0/s1
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| InChIKey |
ZCIQEGOKKVSBOL-QHCPKHFHSA-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