General Information of the Compound
| Compound ID |
CP0495453
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| Compound Name |
CHEMBL4800480
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| Formula |
C43H65F2N9O7
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| Molecular Weight |
858.045
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| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C43H65F2N9O7/c1-28(2)41-52-51-29(3)54(41)35-22-33-12-13-34(23-35)53(33)21-16-36(50-42(59)31-14-17-43(44,45)18-15-31)30-8-10-32(11-9-30)49-40(58)27-61-26-39(57)48-20-7-5-6-19-47-38(56)25-60-24-37(55)46-4/h8-11,28,31,33-36H,5-7,12-27H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,59)/t33-,34+,35+,36-/m0/s1
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| InChIKey |
ULNSLDNOQCRUOZ-NZKHRDNMSA-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