General Information of the Compound
| Compound ID |
CP0451035
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| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-(4-trimethylsilylphenyl)pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C49H67N7O8Si
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| Molecular Weight |
910.202
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| Canonical SMILES |
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)[Si](C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1
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| InChI |
InChI=1S/C49H67N7O8Si/c1-30(2)42(52-48(61)63-5)46(59)54-28-10-12-40(54)44(57)50-34-18-14-32(15-19-34)38-26-27-39(56(38)36-22-24-37(25-23-36)65(7,8)9)33-16-20-35(21-17-33)51-45(58)41-13-11-29-55(41)47(60)43(31(3)4)53-49(62)64-6/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,50,57)(H,51,58)(H,52,61)(H,53,62)/t38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
VFBCVEYOCNQRFL-KHVQSSSXSA-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