General Information of the Compound
| Compound ID |
CP0889500
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| Compound Name |
3-(4-phenyl-1H-2-imidazolyl)-(3S)-spiro[2,3,4,9-tetrahydro-1H-b-carboline-1,2'-tricyclo[3.3.1.13,7]decane];2 hydrochloride salt
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| Structure |
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| Formula |
C29H31ClN4
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| Molecular Weight |
471.048
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| Canonical SMILES |
Cl.c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C4(N3)C3CC5CC(C3)CC4C5)n2)cc1
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| InChI |
InChI=1S/C29H30N4.ClH/c1-2-6-19(7-3-1)26-16-30-28(32-26)25-15-23-22-8-4-5-9-24(22)31-27(23)29(33-25)20-11-17-10-18(13-20)14-21(29)12-17;/h1-9,16-18,20-21,25,31,33H,10-15H2,(H,30,32);1H
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| InChIKey |
SHSCERQCIDIYKO-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