General Information of the Compound
| Compound ID |
CP0351549
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| Compound Name |
US10562854, No. B14
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| Structure |
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| Formula |
C21H22ClN5O2
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| Molecular Weight |
411.893
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| Canonical SMILES |
Oc1c(CN2CCN(CC2)c2ccc(Cl)nn2)ccn(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C21H22ClN5O2/c22-18-6-7-19(24-23-18)26-12-10-25(11-13-26)15-17-8-9-27(21(29)20(17)28)14-16-4-2-1-3-5-16/h1-9,28H,10-15H2
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| InChIKey |
TXYBXEDSXGTMIV-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