General Information of the Compound
| Compound ID |
CP0525113
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| Compound Name |
US8470816, 623
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| Structure |
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| Formula |
C33H40Cl2N4O5
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| Molecular Weight |
643.612
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| Canonical SMILES |
CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(O)CC1)C(=O)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C33H40Cl2N4O5/c1-36(30(40)22-2-5-25(6-3-22)37-16-18-44-19-17-37)29-10-15-39(21-26(29)24-4-7-27(34)28(35)20-24)31(41)23-8-13-38(14-9-23)32(42)33(43)11-12-33/h2-7,20,23,26,29,43H,8-19,21H2,1H3/t26-,29+/m0/s1
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| InChIKey |
JPCIWXKLOABTOR-LITSAYRRSA-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