General Information of the Compound
| Compound ID |
CP0037734
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| Compound Name |
2-(5-{[(2S)-2-Amino-3-(2-chlorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
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| Structure |
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| Formula |
C28H26ClN5O3
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| Molecular Weight |
516.001
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| Canonical SMILES |
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccccc2Cl)c1
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| InChI |
InChI=1S/C28H26ClN5O3/c1-35-26-10-21-20-9-24(34-28(31)22(20)14-33-25(21)11-27(26)36-2)17-8-19(13-32-12-17)37-15-18(30)7-16-5-3-4-6-23(16)29/h3-6,8-14,18H,7,15,30H2,1-2H3,(H2,31,34)/t18-/m0/s1
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| InChIKey |
JHTBKNDSXPZVBM-SFHVURJKSA-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