General Information of the Compound
| Compound ID |
CP0575372
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| Compound Name |
N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(furan-2-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]furan-2-carboxamide
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| Structure |
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| Formula |
C52H44N6O6S2
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| Molecular Weight |
913.094
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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)c1ccco1)c1ccccc1)c1ccccc1)c1ccco1
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| InChI |
InChI=1S/C52H44N6O6S2/c59-47(41-17-9-29-63-41)55-45(37-11-3-1-4-12-37)51(61)57-27-7-15-39(57)49-53-31-43(65-49)35-23-19-33(20-24-35)34-21-25-36(26-22-34)44-32-54-50(66-44)40-16-8-28-58(40)52(62)46(38-13-5-2-6-14-38)56-48(60)42-18-10-30-64-42/h1-6,9-14,17-26,29-32,39-40,45-46H,7-8,15-16,27-28H2,(H,55,59)(H,56,60)/t39-,40-,45+,46+/m0/s1
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| InChIKey |
BENJVPLATYRKHT-FDVQSTIFSA-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