General Information of the Compound
| Compound ID |
CP0507679
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| Compound Name |
(4S)-4-[({4-[3-(Dimethylamino)-3-oxopropyl]-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 |
C32H43N5O7
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| Molecular Weight |
609.724
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCC(=O)N(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H43N5O7/c1-4-5-9-20-44-32(43)37-18-16-36(17-19-37)31(42)25(13-15-29(39)40)34-30(41)27-22-23(12-14-28(38)35(2)3)21-26(33-27)24-10-7-6-8-11-24/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1
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| InChIKey |
SIQJDUMTBGBKHP-VWLOTQADSA-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