General Information of the Compound
| Compound ID |
CP0513917
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| Compound Name |
(4S)-4-{[(4-{[(3-Methoxypropyl)(methyl)amino]carbonyl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)-carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C33H45N5O8
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| Molecular Weight |
639.75
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CCCOC
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| InChI |
InChI=1S/C33H45N5O8/c1-4-5-9-21-46-33(44)38-18-16-37(17-19-38)32(43)26(13-14-29(39)40)35-30(41)28-23-25(31(42)36(2)15-10-20-45-3)22-27(34-28)24-11-7-6-8-12-24/h6-8,11-12,22-23,26H,4-5,9-10,13-21H2,1-3H3,(H,35,41)(H,39,40)/t26-/m0/s1
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| InChIKey |
SLXAACDNUYCYPL-SANMLTNESA-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