General Information of the Compound
| Compound ID |
CP0440013
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| Compound Name |
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C46H56N6O4S2
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| Molecular Weight |
821.126
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| Canonical SMILES |
CCCC[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@@H](CCCC)NC(=O)C1CC1
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| InChI |
InChI=1S/C46H56N6O4S2/c1-3-5-9-35(49-41(53)33-21-22-33)45(55)51-25-7-11-37(51)43-47-27-39(57-43)31-17-13-29(14-18-31)30-15-19-32(20-16-30)40-28-48-44(58-40)38-12-8-26-52(38)46(56)36(10-6-4-2)50-42(54)34-23-24-34/h13-20,27-28,33-38H,3-12,21-26H2,1-2H3,(H,49,53)(H,50,54)/t35-,36-,37+,38+/m1/s1
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| InChIKey |
KVDLLESMDCZMMU-RNATXAOGSA-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