General Information of the Compound
| Compound ID |
CP0481152
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| Compound Name |
US9139585, 34B
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| Structure |
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| Formula |
C23H27N7O4
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| Molecular Weight |
465.514
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(nc2)-n2cnnn2)CC1
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| InChI |
InChI=1S/C23H27N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)21(32)12-29-8-6-28(7-9-29)11-20(31)16-2-5-22(24-10-16)30-14-25-26-27-30/h2-5,10,14,20-21,31-32H,6-9,11-13H2,1H3/t20-,21+/m1/s1
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| InChIKey |
XGNDJHHAVURDLD-RTWAWAEBSA-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