General Information of the Compound
| Compound ID |
CP0566302
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| Compound Name |
US9200001, 126
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| Structure |
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| Formula |
C23H27N9
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| Molecular Weight |
429.532
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)N1CCNCC1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C23H27N9/c1-14-25-15(2)32(29-14)21-13-19(27-23(28-21)31-10-8-24-9-11-31)16-12-17(16)22-26-18-6-4-5-7-20(18)30(22)3/h4-7,13,16-17,24H,8-12H2,1-3H3/t16-,17-/m0/s1
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| InChIKey |
VBLWBMDBQRQHRZ-IRXDYDNUSA-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