General Information of the Compound
| Compound ID |
CP0798748
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| Compound Name |
Octanedioic acid hydroxyamide {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}-amide
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| Structure |
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| Formula |
C34H38N6O5
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| Molecular Weight |
610.715
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| Canonical SMILES |
CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
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| InChI |
InChI=1S/C34H38N6O5/c1-39-29-15-12-23(35-20-21-8-10-22(11-9-21)36-30(42)6-4-2-3-5-7-31(43)38-45)18-27(29)34(44)40-17-16-25-26-19-24(41)13-14-28(26)37-32(25)33(39)40/h8-15,18-19,33,35,37,41,45H,2-7,16-17,20H2,1H3,(H,36,42)(H,38,43)
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| InChIKey |
WWLROYXCFWQTSZ-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