General Information of the Compound
| Compound ID |
CP0013932
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| Compound Name |
US9745291, Compound 70
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| Structure |
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| Formula |
C26H33N5O3
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| Molecular Weight |
463.582
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| Canonical SMILES |
OC(CNC(=O)COc1ccc2cnn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H33N5O3/c32-23(17-30-12-9-19-3-1-2-4-21(19)16-30)15-28-26(33)18-34-24-6-5-20-14-29-31(25(20)13-24)22-7-10-27-11-8-22/h1-6,13-14,22-23,27,32H,7-12,15-18H2,(H,28,33)
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| InChIKey |
BPCBLCQMCNDJJR-UHFFFAOYSA-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