General Information of the Compound
| Compound ID |
CP0966492
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| Compound Name |
trans-1-N-(6-{1H-Pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-yl)cyclohexane-1,4-diamine
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| Formula |
C22H23N5
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| Molecular Weight |
357.461
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| Canonical SMILES |
N[C@H]1CC[C@H](Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
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| InChI |
InChI=1S/C22H23N5/c23-15-4-6-16(7-5-15)27-21-9-11-24-20-8-3-14(12-18(20)21)19-13-26-22-17(19)2-1-10-25-22/h1-3,8-13,15-16H,4-7,23H2,(H,24,27)(H,25,26)/t15-,16-
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| InChIKey |
GUHIPGUWCQSAOT-WKILWMFISA-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