General Information of the Compound
| Compound ID |
CP0293945
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| Compound Name |
2-[5-({(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]propyl}oxy)pyridin-3-yl]-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
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| Structure |
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| Formula |
C29H26F3N5O3
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| Molecular Weight |
549.553
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| Canonical SMILES |
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H26F3N5O3/c1-38-26-10-22-21-9-24(37-28(34)23(21)14-36-25(22)11-27(26)39-2)17-8-20(13-35-12-17)40-15-19(33)7-16-4-3-5-18(6-16)29(30,31)32/h3-6,8-14,19H,7,15,33H2,1-2H3,(H2,34,37)/t19-/m0/s1
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| InChIKey |
WEKPBIWDHVJAHJ-IBGZPJMESA-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