General Information of the Compound
| Compound ID |
CP0136504
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| Compound Name |
1-N-(1,3-benzothiazol-2-ylmethyl)-4-N-(3-ethoxy-4-methoxyphenyl)cyclohexane-1,4-diamine
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| Structure |
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
CCOc1cc(NC2CCC(CC2)NCc2nc3ccccc3s2)ccc1OC
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| InChI |
InChI=1S/C23H29N3O2S/c1-3-28-21-14-18(12-13-20(21)27-2)25-17-10-8-16(9-11-17)24-15-23-26-19-6-4-5-7-22(19)29-23/h4-7,12-14,16-17,24-25H,3,8-11,15H2,1-2H3
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| InChIKey |
IEFUXYCUDWQTPN-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