General Information of the Compound
| Compound ID |
CP0371929
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| Compound Name |
(S)-3-(4-(4-phenylpiperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C30H34N4O5S
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| Molecular Weight |
562.692
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H34N4O5S/c35-29(28-12-7-17-34(28)40(38,39)26-10-5-2-6-11-26)31-27(30(36)37)22-23-13-15-25(16-14-23)33-20-18-32(19-21-33)24-8-3-1-4-9-24/h1-6,8-11,13-16,27-28H,7,12,17-22H2,(H,31,35)(H,36,37)/t27-,28-/m0/s1
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| InChIKey |
VSDOKMSXOUYHRM-NSOVKSMOSA-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