General Information of the Compound
| Compound ID |
CP0967965
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| Compound Name |
(S)-2-amino-N-(2-(6,7-dichloro-9-(1-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-oxoethyl)-2-hydroxyacetamide
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| Structure |
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| Formula |
C19H20Cl2N6O3
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| Molecular Weight |
451.314
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| Canonical SMILES |
Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H](N)O)CC4)n1
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| InChI |
InChI=1S/C19H20Cl2N6O3/c1-26-4-2-13(25-26)9-6-11(20)16(21)17-15(9)10-8-27(5-3-12(10)24-17)14(28)7-23-19(30)18(22)29/h2,4,6,18,24,29H,3,5,7-8,22H2,1H3,(H,23,30)/t18-/m0/s1
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| InChIKey |
ZMBOUBMVKYDDCC-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