General Information of the Compound
| Compound ID |
CP0528110
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| Compound Name |
(S)-2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamido)acetic acid
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| Structure |
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| Formula |
C30H35N3O5S
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| Molecular Weight |
549.693
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| Canonical SMILES |
OC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C30H35N3O5S/c34-29(35)22-32(26-15-19-31(20-16-26)18-14-23-7-2-1-3-8-23)30(36)28-11-6-17-33(28)39(37,38)27-13-12-24-9-4-5-10-25(24)21-27/h1-5,7-10,12-13,21,26,28H,6,11,14-20,22H2,(H,34,35)/t28-/m0/s1
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| InChIKey |
ZFMANZHCBXNEEM-NDEPHWFRSA-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