General Information of the Compound
| Compound ID |
CP0500945
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| Compound Name |
US9493474, 6
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| Structure |
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| Formula |
C31H38N2O6
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| Molecular Weight |
534.653
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C2)C1
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| InChI |
InChI=1S/C31H38N2O6/c1-19-21(5-7-23-25(19)15-38-29(23)36)27(34)13-32-11-3-9-31(17-32)10-4-12-33(18-31)14-28(35)22-6-8-24-26(20(22)2)16-39-30(24)37/h5-8,27-28,34-35H,3-4,9-18H2,1-2H3/t27-,28-,31?/m0/s1
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| InChIKey |
YJWJJJTWMMJKEG-PWDXKWARSA-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