General Information of the Compound
| Compound ID |
CP0565290
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| Compound Name |
US8802711, 143
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| Structure |
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| Formula |
C26H32N4O3
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| Molecular Weight |
448.567
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@H](C1)c1ccccc1)Nc1ccc2CC(N3CCCOCC3)C(=O)Nc2c1
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| InChI |
InChI=1S/C26H32N4O3/c31-25-24(30-11-4-13-33-14-12-30)16-20-8-10-22(17-23(20)29-25)28-26(32)27-21-9-7-19(15-21)18-5-2-1-3-6-18/h1-3,5-6,8,10,17,19,21,24H,4,7,9,11-16H2,(H,29,31)(H2,27,28,32)/t19-,21+,24?/m0/s1
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| InChIKey |
BXLKMTBOOTUIDN-WXFOFVMLSA-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