General Information of the Compound
| Compound ID |
CP0959158
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| Compound Name |
N-Hydroxy-4-(5-{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}-[1,3,4]oxadiazol-2-yl)-butyramide
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| Structure |
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| Formula |
C32H31N7O5
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| Molecular Weight |
593.644
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| Canonical SMILES |
CN1c2ccc(NCc3ccc(-c4nnc(CCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21
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| InChI |
InChI=1S/C32H31N7O5/c1-38-26-12-9-20(33-17-18-5-7-19(8-6-18)30-36-35-28(44-30)4-2-3-27(41)37-43)15-24(26)32(42)39-14-13-22-23-16-21(40)10-11-25(23)34-29(22)31(38)39/h5-12,15-16,31,33-34,40,43H,2-4,13-14,17H2,1H3,(H,37,41)
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| InChIKey |
VXFCWQSCVQMPMU-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