General Information of the Compound
| Compound ID |
CP0478595
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| Compound Name |
[2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-phenylmethanone
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| Structure |
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| Formula |
C26H38N4O2
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| Molecular Weight |
438.616
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| Canonical SMILES |
O=C(N1CCCC2(CCN(CC2)C(=O)c2ccccc2)C1)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C26H38N4O2/c31-24(22-7-2-1-3-8-22)28-17-12-26(13-18-28)11-5-14-30(21-26)25(32)29-16-6-15-27(19-20-29)23-9-4-10-23/h1-3,7-8,23H,4-6,9-21H2
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| InChIKey |
BRBBMJRDWFBQSF-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