General Information of the Compound
| Compound ID |
CP0510754
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| Compound Name |
(S)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(4-(pyrazin-2-yl)piperazin-1-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C28H32N6O5S
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| Molecular Weight |
564.668
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1cnccn1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H32N6O5S/c35-27(25-7-4-14-34(25)40(38,39)23-5-2-1-3-6-23)31-24(28(36)37)19-21-8-10-22(11-9-21)32-15-17-33(18-16-32)26-20-29-12-13-30-26/h1-3,5-6,8-13,20,24-25H,4,7,14-19H2,(H,31,35)(H,36,37)/t24-,25-/m0/s1
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| InChIKey |
ANNOKGXWULWTGK-DQEYMECFSA-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