General Information of the Compound
| Compound ID |
CP0440544
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| Compound Name |
US9139585, 29
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| Structure |
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| Formula |
C27H32N2O5
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| Molecular Weight |
464.562
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| Canonical SMILES |
C[C@@H]1Cc2cc(CCN3CCN(C[C@@H](O)c4ccc5C(=O)OCc5c4C)CC3)ccc2C(=O)O1
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| InChI |
InChI=1S/C27H32N2O5/c1-17-13-20-14-19(3-4-22(20)27(32)34-17)7-8-28-9-11-29(12-10-28)15-25(30)21-5-6-23-24(18(21)2)16-33-26(23)31/h3-6,14,17,25,30H,7-13,15-16H2,1-2H3/t17-,25-/m1/s1
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| InChIKey |
NBJYJIQNAXZXQI-CRICUBBOSA-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