General Information of the Compound
| Compound ID |
CP0464225
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| Compound Name |
(S)-3-(4-(4-(4-cyanophenyl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C31H33N5O5S
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| Molecular Weight |
587.702
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H33N5O5S/c32-22-24-10-14-26(15-11-24)35-19-17-34(18-20-35)25-12-8-23(9-13-25)21-28(31(38)39)33-30(37)29-7-4-16-36(29)42(40,41)27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29H,4,7,16-21H2,(H,33,37)(H,38,39)/t28-,29-/m0/s1
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| InChIKey |
POPRDNSEBXLJLF-VMPREFPWSA-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