General Information of the Compound
| Compound ID |
CP0575371
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| Compound Name |
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(piperidine-1-carbonylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C54H58N8O4S2
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| Molecular Weight |
947.244
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| Canonical SMILES |
O=C(N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)N1CCCCC1)c1ccccc1)c1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C54H58N8O4S2/c63-51(47(41-15-5-1-6-16-41)57-53(65)59-29-9-3-10-30-59)61-33-13-19-43(61)49-55-35-45(67-49)39-25-21-37(22-26-39)38-23-27-40(28-24-38)46-36-56-50(68-46)44-20-14-34-62(44)52(64)48(42-17-7-2-8-18-42)58-54(66)60-31-11-4-12-32-60/h1-2,5-8,15-18,21-28,35-36,43-44,47-48H,3-4,9-14,19-20,29-34H2,(H,57,65)(H,58,66)/t43-,44-,47+,48+/m0/s1
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| InChIKey |
MDLOHBUHKYGWKW-UNWJUUMBSA-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