General Information of the Compound
| Compound ID |
CP0442286
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| Compound Name |
(3R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-(6-(2-(piperidin-1-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
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| Structure |
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| Formula |
C36H41N3O3S
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| Molecular Weight |
595.809
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| Canonical SMILES |
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NC1CCc2cc(CCN3CCCCC3)ccc2C1
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| InChI |
InChI=1S/C36H41N3O3S/c40-36(37-33-17-15-31-23-27(13-14-32(31)24-33)19-22-39-20-7-2-8-21-39)26-35(29-10-3-1-4-11-29)38-43(41,42)34-18-16-28-9-5-6-12-30(28)25-34/h1,3-6,9-14,16,18,23,25,33,35,38H,2,7-8,15,17,19-22,24,26H2,(H,37,40)/t33?,35-/m1/s1
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| InChIKey |
SUQSWWKAHLCGRQ-PWXSHKNQSA-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