General Information of the Compound
| Compound ID |
CP0440015
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| Compound Name |
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-phenyl-2-(3-piperidin-1-ylpropanoylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-3-piperidin-1-ylpropanamide
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| Structure |
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| Formula |
C58H66N8O4S2
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| Molecular Weight |
1003.352
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| Canonical SMILES |
O=C(CCN1CCCCC1)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCN1CCCCC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C58H66N8O4S2/c67-51(29-37-63-31-9-3-10-32-63)61-53(45-15-5-1-6-16-45)57(69)65-35-13-19-47(65)55-59-39-49(71-55)43-25-21-41(22-26-43)42-23-27-44(28-24-42)50-40-60-56(72-50)48-20-14-36-66(48)58(70)54(46-17-7-2-8-18-46)62-52(68)30-38-64-33-11-4-12-34-64/h1-2,5-8,15-18,21-28,39-40,47-48,53-54H,3-4,9-14,19-20,29-38H2,(H,61,67)(H,62,68)/t47-,48-,53-,54+/m0/s1
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| InChIKey |
AVNSHJVNXHOKAJ-UJDALRRNSA-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