General Information of the Compound
| Compound ID |
CP0143236
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| Compound Name |
N-hydroxy-4-[[2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-yl]amino]butanamide
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| Structure |
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| Formula |
C20H23N9O2
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| Molecular Weight |
421.465
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(NCCCC(=O)NO)c2ccccc2n1
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| InChI |
InChI=1S/C20H23N9O2/c1-2-13(26-20-16-19(23-10-22-16)24-11-25-20)18-27-14-7-4-3-6-12(14)17(28-18)21-9-5-8-15(30)29-31/h3-4,6-7,10-11,13,31H,2,5,8-9H2,1H3,(H,29,30)(H,21,27,28)(H2,22,23,24,25,26)/t13-/m0/s1
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| InChIKey |
OQBTZSPSRKQWJQ-ZDUSSCGKSA-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