General Information of the Compound
| Compound ID |
CP0412124
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| Compound Name |
4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCN)c2c1)N1Cc2ccccc2NC(=O)C1
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| InChI |
InChI=1S/C21H23N5O/c1-14-6-7-18-16(10-14)19(23-9-8-22)11-20(24-18)26-12-15-4-2-3-5-17(15)25-21(27)13-26/h2-7,10-11H,8-9,12-13,22H2,1H3,(H,23,24)(H,25,27)
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| InChIKey |
WOFKSVPPBBPGPK-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