General Information of the Compound
| Compound ID |
CP0416042
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| Compound Name |
(2-{11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-8-sulfonylamino}-ethyl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C26H35N7O6S
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| Molecular Weight |
573.676
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(=O)(=O)NCCNC(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C26H35N7O6S/c1-26(2,3)39-25(36)28-10-11-29-40(37,38)18-7-8-21-19(16-18)24(35)30-20-6-5-9-27-23(20)33(21)22(34)17-32-14-12-31(4)13-15-32/h5-9,16,29H,10-15,17H2,1-4H3,(H,28,36)(H,30,35)
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| InChIKey |
ZRGVGYWFKLHIPG-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
Protein ID: PT06109, Geminin
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01713, Muscarinic acetylcholine receptor M3