General Information of the Compound
| Compound ID |
CP0561768
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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-(3-pyrrolidin-1-ylpropanoylamino)acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C56H62N8O4S2
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| Molecular Weight |
975.298
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| Canonical SMILES |
O=C(CCN1CCCC1)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)CCN1CCCC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C56H62N8O4S2/c65-49(27-35-61-29-7-8-30-61)59-51(43-13-3-1-4-14-43)55(67)63-33-11-17-45(63)53-57-37-47(69-53)41-23-19-39(20-24-41)40-21-25-42(26-22-40)48-38-58-54(70-48)46-18-12-34-64(46)56(68)52(44-15-5-2-6-16-44)60-50(66)28-36-62-31-9-10-32-62/h1-6,13-16,19-26,37-38,45-46,51-52H,7-12,17-18,27-36H2,(H,59,65)(H,60,66)/t45-,46-,51+,52+/m0/s1
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| InChIKey |
XULQJQHMAGLLQB-WVTOUMAVSA-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