General Information of the Compound
| Compound ID |
CP0897002
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| Compound Name |
6-Aziridin-1-yl-3-hydroxy-1,2,3,4-tetrahydro-cyclopenta[b]indole-5,8-dione
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| Structure |
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| Formula |
C13H12N2O3
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| Molecular Weight |
244.25
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| Canonical SMILES |
O=C1C(N2CC2)=CC(=O)c2c1[nH]c1c2CCC1O
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| InChI |
InChI=1S/C13H12N2O3/c16-8-2-1-6-10-9(17)5-7(15-3-4-15)13(18)12(10)14-11(6)8/h5,8,14,16H,1-4H2
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| InChIKey |
JHRWARUKBDTBEH-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