General Information of the Compound
| Compound ID |
CP0373176
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| Compound Name |
10-[2-chloro-4-(3-methyl-pyrazol-1-yl)-benzoyl]-1,2,5,10-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-3-one
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| Structure |
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| Formula |
C23H19ClN4O2
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| Molecular Weight |
418.884
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C23H19ClN4O2/c1-15-10-11-28(25-15)17-6-8-19(20(24)12-17)23(30)27-14-18-7-9-22(29)26(18)13-16-4-2-3-5-21(16)27/h2-6,8,10-12,14H,7,9,13H2,1H3
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| InChIKey |
LQWVHRDICKZHCX-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