General Information of the Compound
| Compound ID |
CP0571488
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| Compound Name |
US8772323, 172
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H36N4O3/c1-3-8-24-20(2)27(31-32-28(24)34)22-11-14-25-26(19-22)36-29(30-25)21-9-12-23(13-10-21)35-18-7-17-33-15-5-4-6-16-33/h9-14,19-20,24H,3-8,15-18H2,1-2H3,(H,32,34)/t20-,24-/m0/s1
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| InChIKey |
QIWSMYKDFLKROW-RDPSFJRHSA-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