General Information of the Compound
| Compound ID |
CP0433302
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| Compound Name |
N,N-dimethyl-5-[3-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-2-phenylindol-1-yl]sulfonylnaphthalen-1-amine
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| Structure |
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| Formula |
C32H33N5O2S
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| Molecular Weight |
551.716
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| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)n1c(c(\C=N\N2CCN(C)CC2)c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C32H33N5O2S/c1-34(2)29-17-9-15-27-25(29)14-10-18-31(27)40(38,39)37-30-16-8-7-13-26(30)28(32(37)24-11-5-4-6-12-24)23-33-36-21-19-35(3)20-22-36/h4-18,23H,19-22H2,1-3H3/b33-23+
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| InChIKey |
QXWPFTKGGUFTQA-GZZLJNBRSA-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