General Information of the Compound
| Compound ID |
CP0571795
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-4-cyclohexyl-3,5-dihydro-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C23H29ClN4O
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| Molecular Weight |
412.965
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| Canonical SMILES |
NCCNc1ccc(cc1)N1c2cc(Cl)ccc2CN(CC1=O)C1CCCCC1
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| InChI |
InChI=1S/C23H29ClN4O/c24-18-7-6-17-15-27(20-4-2-1-3-5-20)16-23(29)28(22(17)14-18)21-10-8-19(9-11-21)26-13-12-25/h6-11,14,20,26H,1-5,12-13,15-16,25H2
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| InChIKey |
WZTGBTZLIFUZLM-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