General Information of the Compound
| Compound ID |
CP0230876
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| Compound Name |
N-hydroxy-6-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]amino]methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H26N10O3
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| Molecular Weight |
562.594
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| Canonical SMILES |
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t20-/m0/s1
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| InChIKey |
NNCNCNUUHFTRQN-FQEVSTJZSA-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