General Information of the Compound
| Compound ID |
CP0413256
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| Compound Name |
US9216182, 1.73
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| Structure |
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| Formula |
C21H29N5O2
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| Molecular Weight |
383.496
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1ccn2ccnc2c1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H29N5O2/c27-21(26-14-12-24(13-15-26)17-2-1-3-17)28-19-5-9-23(10-6-19)18-4-8-25-11-7-22-20(25)16-18/h4,7-8,11,16-17,19H,1-3,5-6,9-10,12-15H2
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| InChIKey |
OMZYNNHBHJMMMY-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