General Information of the Compound
| Compound ID |
CP0536893
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| Compound Name |
US9199981, F123
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)[C@@H]1C[C@@H](C1)N1CCCCC1
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| InChI |
InChI=1S/C26H28N6O2/c1-17-8-9-18(15-21(17)28-25(33)22-16-27-23-7-3-6-12-32(22)23)24-29-26(34-30-24)19-13-20(14-19)31-10-4-2-5-11-31/h3,6-9,12,15-16,19-20H,2,4-5,10-11,13-14H2,1H3,(H,28,33)/t19-,20+
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| InChIKey |
OCHXFTLSZGBYGB-BGYRXZFFSA-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