General Information of the Compound
| Compound ID |
CP0451484
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| Compound Name |
3-[(8-chloro-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-ylidene)amino]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C17H20ClN5
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| Molecular Weight |
329.835
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| Canonical SMILES |
CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C17H20ClN5/c1-23(2)10-4-9-19-16-13-11-12(18)6-7-14(13)21-17-15(22-16)5-3-8-20-17/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,22)(H,20,21)
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| InChIKey |
STJQOFCMAAFRKK-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