General Information of the Compound
| Compound ID |
CP0488082
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| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[[4-[(2R,5S)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-(4-triethylsilylphenyl)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 |
C52H73N7O8Si
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| Molecular Weight |
952.283
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| Canonical SMILES |
CC[Si](CC)(CC)c1ccc(cc1)N1[C@H](CC[C@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1
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| InChI |
InChI=1S/C52H73N7O8Si/c1-10-68(11-2,12-3)40-27-25-39(26-28-40)59-41(35-17-21-37(22-18-35)53-47(60)43-15-13-31-57(43)49(62)45(33(4)5)55-51(64)66-8)29-30-42(59)36-19-23-38(24-20-36)54-48(61)44-16-14-32-58(44)50(63)46(34(6)7)56-52(65)67-9/h17-28,33-34,41-46H,10-16,29-32H2,1-9H3,(H,53,60)(H,54,61)(H,55,64)(H,56,65)/t41-,42+,43-,44-,45-,46-/m0/s1
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| InChIKey |
CZTPXCSBMCSWAB-NJOZSNDBSA-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