General Information of the Compound
| Compound ID |
CP0860861
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| Compound Name |
1,1-Dibutyl-3-(4-phenyl-thiazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline with hydrochloride salt
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| Structure |
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| Formula |
C28H34ClN3S
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| Molecular Weight |
480.121
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| Canonical SMILES |
CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)cs2)Cc2c1[nH]c1ccccc21.Cl
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| InChI |
InChI=1S/C28H33N3S.ClH/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)29-26)18-24(31-28)27-30-25(19-32-27)20-12-8-7-9-13-20;/h7-15,19,24,29,31H,3-6,16-18H2,1-2H3;1H/t24-;/m1./s1
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| InChIKey |
KQFCDMOJHRNWQN-GJFSDDNBSA-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