General Information of the Compound
| Compound ID |
CP0401261
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| Compound Name |
(5-aminopyridin-2-yl)-[9-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)ccc2O1
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| InChI |
InChI=1S/C27H36N4O2/c1-26(2)8-7-21-17-20(3-6-24(21)33-26)19-30-13-9-27(10-14-30)11-15-31(16-12-27)25(32)23-5-4-22(28)18-29-23/h3-6,17-18H,7-16,19,28H2,1-2H3
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| InChIKey |
NQHYTSQZQHHSNR-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