General Information of the Compound
| Compound ID |
CP0014645
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| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-N-cyclobutyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-sulfonamide
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| Formula |
C27H38N2O3S
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| Molecular Weight |
470.679
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1
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| InChI |
InChI=1S/C27H38N2O3S/c1-26(2)15-16-27(3,4)23-17-21(13-14-22(23)26)33(31,32)29(20-11-8-12-20)18-24(30)25(28)19-9-6-5-7-10-19/h5-7,9-10,13-14,17,20,24-25,30H,8,11-12,15-16,18,28H2,1-4H3/t24-,25-/m0/s1
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| InChIKey |
VJCNOSYFEBIYSJ-DQEYMECFSA-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