General Information of the Compound
| Compound ID |
CP0212782
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| Compound Name |
7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one
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| Structure |
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| Formula |
C13H10ClN3O
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| Molecular Weight |
259.696
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| Canonical SMILES |
Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1
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| InChI |
InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)
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| InChIKey |
XWNMORIHKRROGW-UHFFFAOYSA-N
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| CAS |
30195-30-3
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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
Protein ID: PT06109, Geminin
Protein ID: PT03418, Protein Tat