General Information of the Compound
| Compound ID |
CP0541901
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| Compound Name |
CHEMBL490608
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| Formula |
C21H17N3O2
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| Molecular Weight |
343.386
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| Canonical SMILES |
O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)c2ccccc12
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| InChI |
InChI=1S/C21H17N3O2/c22-12-13-5-6-17-18(11-13)24-19(23-17)14-7-9-21(10-8-14)16-4-2-1-3-15(16)20(25)26-21/h1-6,11,14H,7-10H2,(H,23,24)/t14-,21-
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| InChIKey |
KSXPPFUDWFPGRM-HNSKJHPRSA-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