General Information of the Compound
| Compound ID |
CP0431129
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| Compound Name |
1-[8-(4-methylpiperidine-1-carbonyl)-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]butan-1-one
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CCCC(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
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| InChI |
InChI=1S/C27H37N3O3/c1-3-4-26(31)30-24-6-5-20(27(32)28-12-7-19(2)8-13-28)17-22(24)23-18-29(14-9-25(23)30)21-10-15-33-16-11-21/h5-6,17,19,21H,3-4,7-16,18H2,1-2H3
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| InChIKey |
DORYOPLPKBBLFQ-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