General Information of the Compound
| Compound ID |
CP0489339
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| Compound Name |
(S)-3-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C29H34N6O5S
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| Molecular Weight |
578.695
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ncccn1)C(O)=O
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| InChI |
InChI=1S/C29H34N6O5S/c1-21-5-11-24(12-6-21)41(39,40)35-15-2-4-26(35)27(36)32-25(28(37)38)20-22-7-9-23(10-8-22)33-16-18-34(19-17-33)29-30-13-3-14-31-29/h3,5-14,25-26H,2,4,15-20H2,1H3,(H,32,36)(H,37,38)/t25-,26-/m0/s1
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| InChIKey |
ULIGFGCKRRTCOA-UIOOFZCWSA-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