General Information of the Compound
| Compound ID |
CP0489626
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| Compound Name |
US9388162, 10
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| Structure |
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| Formula |
C25H31NO7
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| Molecular Weight |
457.523
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)C(CC(O)=O)(CC(O)=O)C[C@@]34O)c2c1
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| InChI |
InChI=1S/C25H31NO7/c1-33-17-5-4-16-8-19-25(32)14-23(11-21(28)29,12-22(30)31)20(27)10-24(25,18(16)9-17)6-7-26(19)13-15-2-3-15/h4-5,9,15,19,32H,2-3,6-8,10-14H2,1H3,(H,28,29)(H,30,31)/t19-,24-,25-/m1/s1
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| InChIKey |
JRUUFGVWOYBRQT-UKDVSSAZSA-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