General Information of the Compound
| Compound ID |
CP0479217
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| Compound Name |
US9212153, 218,Ex. 176
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
COC1CCC2(Cc3ccccc3C22N=C(N)N(C)C2=O)CC1
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| InChI |
InChI=1S/C18H23N3O2/c1-21-15(22)18(20-16(21)19)14-6-4-3-5-12(14)11-17(18)9-7-13(23-2)8-10-17/h3-6,13H,7-11H2,1-2H3,(H2,19,20)
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| InChIKey |
VZRZTNGBCNWFOM-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