General Information of the Compound
| Compound ID |
CP0550938
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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-(pyrrolidine-1-carbonylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C52H54N8O4S2
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| Molecular Weight |
919.19
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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)N1CCCC1)c1ccccc1)c1ccccc1)N1CCCC1
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| InChI |
InChI=1S/C52H54N8O4S2/c61-49(45(39-13-3-1-4-14-39)55-51(63)57-27-7-8-28-57)59-31-11-17-41(59)47-53-33-43(65-47)37-23-19-35(20-24-37)36-21-25-38(26-22-36)44-34-54-48(66-44)42-18-12-32-60(42)50(62)46(40-15-5-2-6-16-40)56-52(64)58-29-9-10-30-58/h1-6,13-16,19-26,33-34,41-42,45-46H,7-12,17-18,27-32H2,(H,55,63)(H,56,64)/t41-,42-,45-,46+/m0/s1
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| InChIKey |
OSOGOCAZYJXLDZ-KKWITKANSA-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