General Information of the Compound
| Compound ID |
CP0556565
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| Compound Name |
N-[(1R)-2-oxo-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(pentanoylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]pentanamide
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| Structure |
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| Formula |
C52H56N6O4S2
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| Molecular Weight |
893.192
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| Canonical SMILES |
CCCCC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)CCCC)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C52H56N6O4S2/c1-3-5-21-45(59)55-47(39-15-9-7-10-16-39)51(61)57-31-13-19-41(57)49-53-33-43(63-49)37-27-23-35(24-28-37)36-25-29-38(30-26-36)44-34-54-50(64-44)42-20-14-32-58(42)52(62)48(40-17-11-8-12-18-40)56-46(60)22-6-4-2/h7-12,15-18,23-30,33-34,41-42,47-48H,3-6,13-14,19-22,31-32H2,1-2H3,(H,55,59)(H,56,60)/t41-,42-,47+,48+/m0/s1
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| InChIKey |
PIQFNFGQZBFWLU-YNGQCAQYSA-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