General Information of the Compound
| Compound ID |
CP0899621
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| Compound Name |
(S)-1-(4-[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)thiosemicarbazido]-3-nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid amide
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| Structure |
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| Formula |
C27H28N6O5S2
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| Molecular Weight |
580.692
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC2Cc3ccccc3Cc3ccccc32)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C27H28N6O5S2/c28-26(34)24-10-5-13-32(24)40(37,38)20-11-12-22(25(16-20)33(35)36)30-31-27(39)29-23-15-18-7-2-1-6-17(18)14-19-8-3-4-9-21(19)23/h1-4,6-9,11-12,16,23-24,30H,5,10,13-15H2,(H2,28,34)(H2,29,31,39)/t23?,24-/m0/s1
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| InChIKey |
IBWCUJNBHXAEAU-CGAIIQECSA-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