General Information of the Compound
| Compound ID |
CP0377747
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| Compound Name |
2-(3-Benzenesulfonylamino-pyrrolidin-1-yl)-N-(6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide
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| Structure |
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| Formula |
C28H31FN4O3S
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| Molecular Weight |
522.646
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@H](C1)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H31FN4O3S/c29-22-9-10-25-21(16-22)8-11-27(26(25)15-20-5-4-13-30-17-20)31-28(34)19-33-14-12-23(18-33)32-37(35,36)24-6-2-1-3-7-24/h1-7,9-10,13,16-17,23,26-27,32H,8,11-12,14-15,18-19H2,(H,31,34)/t23-,26?,27?/m1/s1
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| InChIKey |
LGIFDRMRYOXUCN-OMXGPXTPSA-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