General Information of the Compound
| Compound ID |
CP0920815
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| Compound Name |
1-(4-[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)thiosemicarbazido]-3-nitrobenzenesulfonyl]1H-pyrrole-2-carboxylic acid{2-[(2-dimethylaminoethyl)methylamino]ethyl}amide
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| Structure |
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| Formula |
C34H40N8O5S2
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| Molecular Weight |
704.879
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| Canonical SMILES |
CN(C)CCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(N/N=C(\S)NC2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C34H40N8O5S2/c1-39(2)21-22-40(3)20-18-35-33(43)30-13-8-19-41(30)49(46,47)26-16-17-29(31(23-26)42(44)45)37-38-34(48)36-32-27-11-6-4-9-24(27)14-15-25-10-5-7-12-28(25)32/h4-13,16-17,19,23,32,37H,14-15,18,20-22H2,1-3H3,(H,35,43)(H2,36,38,48)
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| InChIKey |
QGTPDQUKWCFOHH-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