General Information of the Compound
| Compound ID |
CP0228642
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| Compound Name |
2-(5-{[(2S)-2-Amino-3-(3,4-dichlorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
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| Structure |
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| Formula |
C28H25Cl2N5O3
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| Molecular Weight |
550.446
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| Canonical SMILES |
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C28H25Cl2N5O3/c1-36-26-9-20-19-8-24(35-28(32)21(19)13-34-25(20)10-27(26)37-2)16-7-18(12-33-11-16)38-14-17(31)5-15-3-4-22(29)23(30)6-15/h3-4,6-13,17H,5,14,31H2,1-2H3,(H2,32,35)/t17-/m0/s1
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| InChIKey |
UUQADGWFQPYANC-KRWDZBQOSA-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