General Information of the Compound
| Compound ID |
CP0966135
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| Compound Name |
5-(sec-Butyl)-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
CCC(C)n1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21
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| InChI |
InChI=1S/C26H29N5O2/c1-5-16(2)31-21-14-22(30-10-8-29(3)9-11-30)23(33-4)13-19(21)25(32)24-18-7-6-17(15-27)12-20(18)28-26(24)31/h6-7,12-14,16,28H,5,8-11H2,1-4H3
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| InChIKey |
KWOFDYYOHXTUCA-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