General Information of the Compound
| Compound ID |
CP0561615
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| Compound Name |
US9346786, 30
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| Structure |
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| Formula |
C33H34ClFN4O4
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| Molecular Weight |
605.11
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| Canonical SMILES |
CC(=O)c1ccc(nc1)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)N(C1CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C33H34ClFN4O4/c1-21(40)24-4-13-31(36-18-24)37-16-14-23(15-17-37)32(41)38-19-29(22-2-5-25(34)6-3-22)30(20-38)39(27-9-10-27)33(42)43-28-11-7-26(35)8-12-28/h2-8,11-13,18,23,27,29-30H,9-10,14-17,19-20H2,1H3/t29-,30+/m0/s1
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| InChIKey |
RWLPPICDDRUMFS-XZWHSSHBSA-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