General Information of the Compound
| Compound ID |
CP0293946
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| Compound Name |
2-(5-{[(2S)-2-Amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
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| Structure |
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| Formula |
C30H28N6O3
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| Molecular Weight |
520.593
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| Canonical SMILES |
COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C30H28N6O3/c1-37-28-10-23-22-9-26(36-30(32)24(22)15-35-27(23)11-29(28)38-2)18-8-20(14-33-12-18)39-16-19(31)7-17-13-34-25-6-4-3-5-21(17)25/h3-6,8-15,19,34H,7,16,31H2,1-2H3,(H2,32,36)/t19-/m0/s1
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| InChIKey |
ZWSYVXUTWLOAGF-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