General Information of the Compound
| Compound ID |
CP0518273
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| Compound Name |
US8933079, 5.13
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
Cc1cc(CN2CCC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H29N3O4/c1-19-12-21(15-28-11-5-8-22(30)16-28)9-10-24(19)25(31)17-29-26(32)13-23(14-27-29)33-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-14,22,30H,5,8,11,15-18H2,1H3/t22-/m0/s1
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| InChIKey |
ZYEUGCBFCJKHOT-QFIPXVFZSA-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