General Information of the Compound
| Compound ID |
CP0563256
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| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C38H44N6O6S2
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| Molecular Weight |
744.94
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| Canonical SMILES |
CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](CC)NC(=O)OC
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| InChI |
InChI=1S/C38H44N6O6S2/c1-5-27(41-37(47)49-3)35(45)43-19-7-9-29(43)33-39-21-31(51-33)25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-22-40-34(52-32)30-10-8-20-44(30)36(46)28(6-2)42-38(48)50-4/h11-18,21-22,27-30H,5-10,19-20H2,1-4H3,(H,41,47)(H,42,48)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
XAQCMBCTXLVELQ-KRCBVYEFSA-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