General Information of the Compound
| Compound ID |
CP0526744
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| Compound Name |
(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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| Structure |
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| Formula |
C14H13N3O2
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| Molecular Weight |
255.277
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| Canonical SMILES |
O=C1NCC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12
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| InChI |
InChI=1S/C14H13N3O2/c18-13-6-15-14(19)12-5-9-8-3-1-2-4-10(8)16-11(9)7-17(12)13/h1-4,12,16H,5-7H2,(H,15,19)/t12-/m0/s1
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| InChIKey |
NPVXGSMQZSCDQO-LBPRGKRZSA-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