General Information of the Compound
| Compound ID |
CP0967964
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| Compound Name |
(S)-6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-2-prolyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C20H21Cl2N5O
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| Molecular Weight |
418.328
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| Canonical SMILES |
Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)[C@@H]2CCCN2)CC4)n1
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| InChI |
InChI=1S/C20H21Cl2N5O/c1-26-7-4-15(25-26)11-9-13(21)18(22)19-17(11)12-10-27(8-5-14(12)24-19)20(28)16-3-2-6-23-16/h4,7,9,16,23-24H,2-3,5-6,8,10H2,1H3/t16-/m0/s1
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| InChIKey |
QGBUROBGVSVRSX-INIZCTEOSA-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