General Information of the Compound
| Compound ID |
CP0536849
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| Compound Name |
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyrazin-2-ylbenzamide
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| Structure |
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| Formula |
C27H21ClN6O3
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| Molecular Weight |
512.957
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| Canonical SMILES |
Clc1ccc2c(NC(=O)[C@@H](Cc3cccnc3)N(Cc3ccc(cc3)C(=O)Nc3cnccn3)C2=O)c1
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| InChI |
InChI=1S/C27H21ClN6O3/c28-20-7-8-21-22(13-20)32-26(36)23(12-18-2-1-9-29-14-18)34(27(21)37)16-17-3-5-19(6-4-17)25(35)33-24-15-30-10-11-31-24/h1-11,13-15,23H,12,16H2,(H,32,36)(H,31,33,35)/t23-/m1/s1
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| InChIKey |
RHAAQOBAUCJGMD-HSZRJFAPSA-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