General Information of the Compound
| Compound ID |
CP0952913
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| Compound Name |
4-chloro-2-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol hydrochloride
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| Structure |
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| Formula |
C17H15Cl3N2O
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| Molecular Weight |
369.679
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| Canonical SMILES |
Cl.Oc1ccc(Cl)cc1C1NCCc2c1[nH]c1ccc(Cl)cc21
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| InChI |
InChI=1S/C17H14Cl2N2O.ClH/c18-9-1-3-14-12(7-9)11-5-6-20-16(17(11)21-14)13-8-10(19)2-4-15(13)22;/h1-4,7-8,16,20-22H,5-6H2;1H
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| InChIKey |
BGUCJNCHLKWWEP-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