General Information of the Compound
| Compound ID |
CP0575366
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| Compound Name |
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)propanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C40H44N6O4S2
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| Molecular Weight |
736.964
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| Canonical SMILES |
C[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)C1CC1
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| InChI |
InChI=1S/C40H44N6O4S2/c1-23(43-35(47)29-15-16-29)39(49)45-19-3-5-31(45)37-41-21-33(51-37)27-11-7-25(8-12-27)26-9-13-28(14-10-26)34-22-42-38(52-34)32-6-4-20-46(32)40(50)24(2)44-36(48)30-17-18-30/h7-14,21-24,29-32H,3-6,15-20H2,1-2H3,(H,43,47)(H,44,48)/t23-,24-,31+,32+/m1/s1
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| InChIKey |
DFWGZRQPMXCTRU-DDADIKCBSA-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