General Information of the Compound
| Compound ID |
CP0518972
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| Compound Name |
US9200001, 70
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| Structure |
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| Formula |
C25H29N7O
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| Molecular Weight |
443.555
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1CC1CCCCO1
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| InChI |
InChI=1S/C25H29N7O/c1-15-27-22(13-24(28-15)32-17(3)26-16(2)30-32)19-12-20(19)25-29-21-9-4-5-10-23(21)31(25)14-18-8-6-7-11-33-18/h4-5,9-10,13,18-20H,6-8,11-12,14H2,1-3H3/t18?,19-,20-/m1/s1
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| InChIKey |
PESKSTAIYHVYDH-FXJNCMGBSA-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