General Information of the Compound
| Compound ID |
CP0014241
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| Compound Name |
3-(2-benzylpyrido[4,3-b]indol-2-ium-5-yl)-1-phenothiazin-10-ylpropan-1-one;bromide
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| Formula |
C33H26BrN3OS
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| Molecular Weight |
592.562
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| Canonical SMILES |
[Br-].O=C(CCn1c2ccccc2c2c[n+](Cc3ccccc3)ccc12)N1c2ccccc2Sc2ccccc12
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| InChI |
InChI=1S/C33H26N3OS.BrH/c37-33(36-29-14-6-8-16-31(29)38-32-17-9-7-15-30(32)36)19-21-35-27-13-5-4-12-25(27)26-23-34(20-18-28(26)35)22-24-10-2-1-3-11-24;/h1-18,20,23H,19,21-22H2;1H/q+1;/p-1
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| InChIKey |
XMDNJVWLAXFRON-UHFFFAOYSA-M
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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