General Information of the Compound
| Compound ID |
CP0864135
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| Compound Name |
2-[3-(Isoindolin-2-yl)propyl]-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C28H29N3
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| Molecular Weight |
407.561
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| Canonical SMILES |
c1ccc(C2c3[nH]c4ccccc4c3CCN2CCCN2Cc3ccccc3C2)cc1
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| InChI |
InChI=1S/C28H29N3/c1-2-9-21(10-3-1)28-27-25(24-13-6-7-14-26(24)29-27)15-18-31(28)17-8-16-30-19-22-11-4-5-12-23(22)20-30/h1-7,9-14,28-29H,8,15-20H2
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| InChIKey |
KIEBMLKNWHLABS-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