General Information of the Compound
| Compound ID |
CP0177100
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| Compound Name |
1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C18H16Cl2N4O2
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| Molecular Weight |
391.258
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| Canonical SMILES |
Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
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| InChI |
InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)
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| InChIKey |
VVUOUIPXYFIWLE-UHFFFAOYSA-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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