General Information of the Compound
| Compound ID |
CP0563257
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| Compound Name |
N-[(1S)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopentanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclopentanecarboxamide
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| Structure |
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| Formula |
C54H56N6O4S2
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| Molecular Weight |
917.214
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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)C1CCCC1)c1ccccc1)c1ccccc1)C1CCCC1
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| InChI |
InChI=1S/C54H56N6O4S2/c61-49(41-17-7-8-18-41)57-47(39-13-3-1-4-14-39)53(63)59-31-11-21-43(59)51-55-33-45(65-51)37-27-23-35(24-28-37)36-25-29-38(30-26-36)46-34-56-52(66-46)44-22-12-32-60(44)54(64)48(40-15-5-2-6-16-40)58-50(62)42-19-9-10-20-42/h1-6,13-16,23-30,33-34,41-44,47-48H,7-12,17-22,31-32H2,(H,57,61)(H,58,62)/t43-,44-,47-,48+/m0/s1
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| InChIKey |
FKTIPQIDSHVMBO-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