General Information of the Compound
| Compound ID |
CP0493296
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| Compound Name |
US9212165, 32
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1
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| InChI |
InChI=1S/C20H22N4O/c1-24-14-7-17(23-24)18(25)22-20-9-4-8-19(15-20,11-12-20)10-6-16-5-2-3-13-21-16/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,22,25)/t19-,20+/m1/s1
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| InChIKey |
DPOBBSWZCUVNPT-UXHICEINSA-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