General Information of the Compound
| Compound ID |
CP0659903
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| Compound Name |
Pentanedioic 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 |
C24H25N5O5
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| Molecular Weight |
463.494
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| Canonical SMILES |
CN1c2ccc(NC(=O)CCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
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| InChI |
InChI=1S/C24H25N5O5/c1-28-19-8-5-13(25-20(31)3-2-4-21(32)27-34)11-17(19)24(33)29-10-9-15-16-12-14(30)6-7-18(16)26-22(15)23(28)29/h5-8,11-12,23,26,30,34H,2-4,9-10H2,1H3,(H,25,31)(H,27,32)
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| InChIKey |
ASDVCJOUIHLERK-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