General Information of the Compound
| Compound ID |
CP0486327
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| Compound Name |
US9388162, 19
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| Structure |
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| Formula |
C28H38N2O6
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| Molecular Weight |
498.62
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C(O)=O
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| InChI |
InChI=1S/C28H38N2O6/c1-16(2)9-22(26(34)35)29-25(33)11-19-13-28(36)24-10-18-5-6-20(31)12-21(18)27(28,14-23(19)32)7-8-30(24)15-17-3-4-17/h5-6,12,16-17,19,22,24,31,36H,3-4,7-11,13-15H2,1-2H3,(H,29,33)(H,34,35)/t19-,22-,24+,27+,28+/m0/s1
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| InChIKey |
KWPXRFXRFPSEAO-BWRUTCSNSA-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