General Information of the Compound
| Compound ID |
CP0419196
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| Compound Name |
US9481682, 99
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| Structure |
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| Formula |
C29H31N7O3
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| Molecular Weight |
525.613
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| Canonical SMILES |
COC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1
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| InChI |
InChI=1S/C29H31N7O3/c1-17(39-2)20-11-12-31-23(15-20)33-29(38)19-5-3-18(4-6-19)25-26-27(30)32-13-14-35(26)28(34-25)21-7-8-22-9-10-24(37)36(22)16-21/h3-6,11-15,17,21-22H,7-10,16H2,1-2H3,(H2,30,32)(H,31,33,38)/t17?,21-,22+/m1/s1
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| InChIKey |
PXWFTQSGNDTSMO-RRNUJPESSA-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