General Information of the Compound
| Compound ID |
CP0637884
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| Compound Name |
N-methyl-N-(2-(pyridin-4-ylmethyl-[3-(1,3,3,5-tetramethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]amino)ethyl)benzamide dihydrochloride
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| Structure |
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| Formula |
C32H41Cl2N5O4
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| Molecular Weight |
630.617
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| Canonical SMILES |
CN(CCN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)Cc1ccncc1)C(=O)c1ccccc1.Cl.Cl
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| InChI |
InChI=1S/C32H39N5O4.2ClH/c1-32(2)30(39)35(4)27-13-12-26(22-28(27)36(5)31(32)40)41-21-9-18-37(23-24-14-16-33-17-15-24)20-19-34(3)29(38)25-10-7-6-8-11-25;;/h6-8,10-17,22H,9,18-21,23H2,1-5H3;2*1H
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| InChIKey |
KJMBLIYINJNYGO-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