General Information of the Compound
| Compound ID |
CP0651915
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| Compound Name |
(3R)-3-(4-(4-fluorophenyl)-1H-imidazol-2-yl)-1-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C27H23FN4
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| Molecular Weight |
422.507
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| Canonical SMILES |
CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C27H23FN4/c1-27(18-7-3-2-4-8-18)25-21(20-9-5-6-10-22(20)30-25)15-23(32-27)26-29-16-24(31-26)17-11-13-19(28)14-12-17/h2-14,16,23,30,32H,15H2,1H3,(H,29,31)/t23-,27?/m1/s1
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| InChIKey |
SKXFCOJKQNLPGO-BRIWLPCBSA-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