General Information of the Compound
| Compound ID |
CP0512079
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| Compound Name |
US9139585, 23B
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| Structure |
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| Formula |
C29H34N2O7
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| Molecular Weight |
522.598
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| Canonical SMILES |
C[C@@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C29H34N2O7/c1-16-7-19-8-18(3-4-23(19)29(35)38-16)26(32)11-30-9-20-13-36-14-21(10-30)31(20)12-27(33)22-5-6-24-25(17(22)2)15-37-28(24)34/h3-6,8,16,20-21,26-27,32-33H,7,9-15H2,1-2H3/t16-,20?,21?,26?,27+/m1/s1
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| InChIKey |
ZCHVIAPPUOCRAU-ANKLDYODSA-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