General Information of the Compound
| Compound ID |
CP0489340
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| Compound Name |
(S)-3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C32H38N4O6S
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| Molecular Weight |
606.745
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C32H38N4O6S/c1-23-9-15-26(16-10-23)43(40,41)36-17-5-7-29(36)31(37)33-27(32(38)39)22-24-11-13-25(14-12-24)34-18-20-35(21-19-34)28-6-3-4-8-30(28)42-2/h3-4,6,8-16,27,29H,5,7,17-22H2,1-2H3,(H,33,37)(H,38,39)/t27-,29-/m0/s1
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| InChIKey |
CFXNSLXHWYNOJM-YTMVLYRLSA-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