General Information of the Compound
| Compound ID |
CP0439097
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| Compound Name |
1'-(pyrimidin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C26H23N5O
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| Molecular Weight |
421.504
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| Canonical SMILES |
O=C1N(c2ccccc2C11CCN(Cc2ncccn2)CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C26H23N5O/c32-25-26(10-14-30(15-11-26)18-24-27-12-5-13-28-24)21-7-2-4-9-23(21)31(25)20-16-19-6-1-3-8-22(19)29-17-20/h1-9,12-13,16-17H,10-11,14-15,18H2
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| InChIKey |
HDWUBAHHZGASTF-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