General Information of the Compound
| Compound ID |
CP0429734
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| Compound Name |
(4S)-4-[({4-[3-(Dimethylamino)propyl]-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 |
C32H45N5O6
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| Molecular Weight |
595.741
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCN(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H45N5O6/c1-4-5-9-21-43-32(42)37-19-17-36(18-20-37)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-10-16-35(2)3)22-27(33-28)25-12-7-6-8-13-25/h6-8,12-13,22-23,26H,4-5,9-11,14-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
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| InChIKey |
WNYWKOICOFIXBE-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