General Information of the Compound
| Compound ID |
CP0540310
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| Compound Name |
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C21H24Cl2N6O2
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| Molecular Weight |
463.369
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| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CNC(=O)C(C)(C)N
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| InChI |
InChI=1S/C21H24Cl2N6O2/c1-21(2,24)20(31)25-9-16(30)29-7-5-14-12(10-29)17-11(15-4-6-28(3)27-15)8-13(22)18(23)19(17)26-14/h4,6,8,26H,5,7,9-10,24H2,1-3H3,(H,25,31)
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| InChIKey |
DRUQDUIYXQYJQO-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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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