General Information of the Compound
| Compound ID |
CP0689757
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| Compound Name |
Hexanedioic acid hydroxyamide (10-hydroxy-14-methyl-5-oxo-5,7,8,13,13b,14-hexahydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-3-yl)-amide
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| Structure |
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| Formula |
C25H27N5O5
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| Molecular Weight |
477.521
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| Canonical SMILES |
CN1c2ccc(NC(=O)CCCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
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| InChI |
InChI=1S/C25H27N5O5/c1-29-20-9-6-14(26-21(32)4-2-3-5-22(33)28-35)12-18(20)25(34)30-11-10-16-17-13-15(31)7-8-19(17)27-23(16)24(29)30/h6-9,12-13,24,27,31,35H,2-5,10-11H2,1H3,(H,26,32)(H,28,33)
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| InChIKey |
KRMIJCGXSPNNHR-UHFFFAOYSA-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