General Information of the Compound
| Compound ID |
CP0553002
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| Compound Name |
(S)-3-(4-(4-(2-cyanophenyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C32H35N5O5S
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| Molecular Weight |
601.729
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1C#N)C(O)=O
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| InChI |
InChI=1S/C32H35N5O5S/c1-23-8-14-27(15-9-23)43(41,42)37-16-4-7-30(37)31(38)34-28(32(39)40)21-24-10-12-26(13-11-24)35-17-19-36(20-18-35)29-6-3-2-5-25(29)22-33/h2-3,5-6,8-15,28,30H,4,7,16-21H2,1H3,(H,34,38)(H,39,40)/t28-,30-/m0/s1
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| InChIKey |
JKNAIRNASBFJCR-JDXGNMNLSA-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