General Information of the Compound
| Compound ID |
CP0245347
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| Compound Name |
3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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| Structure |
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
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| InChI |
InChI=1S/C26H31N5O2/c1-26(2,3)18-8-10-19(11-9-18)30-15-12-29(13-16-30)14-17-31-24(32)23-22(28-25(31)33)20-6-4-5-7-21(20)27-23/h4-11,27H,12-17H2,1-3H3,(H,28,33)
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| InChIKey |
HQVAUISTGQUBJI-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