General Information of the Compound
| Compound ID |
CP0507979
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| Compound Name |
1-(4-[N-(2-Pyrrolidin-1-yl-2-oxoethylcarbamoyl]aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C26H32N4O3
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| Molecular Weight |
448.567
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C26H32N4O3/c1-19-16-21(25(32)30-15-5-4-9-20-8-2-3-10-23(20)30)11-12-22(19)17-27-26(33)28-18-24(31)29-13-6-7-14-29/h2-3,8,10-12,16H,4-7,9,13-15,17-18H2,1H3,(H2,27,28,33)
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| InChIKey |
GTPNZNKIKMWUIS-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