General Information of the Compound
| Compound ID |
CP0536858
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| Compound Name |
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-methoxy-4-(6-methoxynaphthalen-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C38H52N4O9S
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| Molecular Weight |
740.92
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC
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| InChI |
InChI=1S/C38H52N4O9S/c1-35(2,3)30(39-34(46)51-36(4,5)6)32(44)42-21-37(50-8,25-13-11-24-18-26(49-7)14-12-23(24)17-25)20-29(42)31(43)40-38(19-28(38)22-9-10-22)33(45)41-52(47,48)27-15-16-27/h11-14,17-18,22,27-30H,9-10,15-16,19-21H2,1-8H3,(H,39,46)(H,40,43)(H,41,45)/t28-,29-,30+,37-,38+/m0/s1
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| InChIKey |
IORZOWRFTNIBPS-ZQYMQFNFSA-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