General Information of the Compound
| Compound ID |
CP0437982
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| Compound Name |
N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C54H46N8O4S2
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| Molecular Weight |
935.148
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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)c1ccncc1)c1ccccc1)c1ccccc1)c1ccncc1
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| InChI |
InChI=1S/C54H46N8O4S2/c63-49(41-23-27-55-28-24-41)59-47(39-9-3-1-4-10-39)53(65)61-31-7-13-43(61)51-57-33-45(67-51)37-19-15-35(16-20-37)36-17-21-38(22-18-36)46-34-58-52(68-46)44-14-8-32-62(44)54(66)48(40-11-5-2-6-12-40)60-50(64)42-25-29-56-30-26-42/h1-6,9-12,15-30,33-34,43-44,47-48H,7-8,13-14,31-32H2,(H,59,63)(H,60,64)/t43-,44-,47-,48+/m0/s1
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| InChIKey |
KHZPPEBICACRIC-ONFDFNSZSA-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