General Information of the Compound
| Compound ID |
CP0404311
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| Compound Name |
(1,1,1-trifluoro-2-methylpropan-2-yl) 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 |
C38H49F3N4O9S
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| Molecular Weight |
794.89
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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(F)(F)F)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/C38H49F3N4O9S/c1-34(2,3)29(42-33(49)54-35(4,5)38(39,40)41)31(47)45-20-36(53-7,24-12-10-23-17-25(52-6)13-11-22(23)16-24)19-28(45)30(46)43-37(18-27(37)21-8-9-21)32(48)44-55(50,51)26-14-15-26/h10-13,16-17,21,26-29H,8-9,14-15,18-20H2,1-7H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,29+,36-,37+/m0/s1
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| InChIKey |
JVNRKTQZIXOLJM-FZVJHNRXSA-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