General Information of the Compound
| Compound ID |
CP0689758
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| Compound Name |
5-(3-{4-[(10-Hydroxy-14-methyl-5-oxo-5,7,8,13,13b,14-hexahydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-3-ylamino)-methyl]-phenyl}-[1,2,4]oxadiazol-5-yl)-pentanoic acid hydroxyamide
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| Structure |
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| Formula |
C33H33N7O5
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| Molecular Weight |
607.671
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| Canonical SMILES |
CN1c2ccc(NCc3ccc(-c4noc(CCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
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| InChI |
InChI=1S/C33H33N7O5/c1-39-27-13-10-21(16-25(27)33(43)40-15-14-23-24-17-22(41)11-12-26(24)35-30(23)32(39)40)34-18-19-6-8-20(9-7-19)31-36-29(45-38-31)5-3-2-4-28(42)37-44/h6-13,16-17,32,34-35,41,44H,2-5,14-15,18H2,1H3,(H,37,42)
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| InChIKey |
QCUDMKUXQZMWTF-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