General Information of the Compound
| Compound ID |
CP0449952
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| Compound Name |
US9200001, 84
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| Structure |
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| Formula |
C29H36N8O2
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| Molecular Weight |
528.661
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| Canonical SMILES |
Cc1nc(C2CCN(CC2)C(=O)OC(C)(C)C)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C29H36N8O2/c1-17-30-23(20-15-21(20)27-33-22-9-7-8-10-24(22)35(27)6)16-25(31-17)37-26(32-18(2)34-37)19-11-13-36(14-12-19)28(38)39-29(3,4)5/h7-10,16,19-21H,11-15H2,1-6H3/t20-,21-/m0/s1
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| InChIKey |
CXHNCASWSQWNSJ-SFTDATJTSA-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