General Information of the Compound
| Compound ID |
CP0436348
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| Compound Name |
(S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C32H32N6O5S
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| Molecular Weight |
612.712
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C32H32N6O5S/c33-21-24-6-4-7-25(22-34)30(24)37-18-16-36(17-19-37)26-13-11-23(12-14-26)20-28(32(40)41)35-31(39)29-10-5-15-38(29)44(42,43)27-8-2-1-3-9-27/h1-4,6-9,11-14,28-29H,5,10,15-20H2,(H,35,39)(H,40,41)/t28-,29-/m0/s1
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| InChIKey |
LTYMJLTXGNXFIQ-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