General Information of the Compound
| Compound ID |
CP0529718
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| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C37H42N6O
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| Molecular Weight |
586.784
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| Canonical SMILES |
Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1CCc2ccccc2CC1
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| InChI |
InChI=1S/C37H42N6O/c1-26-11-20-33-34(25-26)42(31-18-14-30(15-19-31)38-22-21-35-39-23-24-40-35)37(44)43(41-36(33)29-9-3-2-4-10-29)32-16-12-27-7-5-6-8-28(27)13-17-32/h5-8,11,14-15,18-20,23-25,29,32,38H,2-4,9-10,12-13,16-17,21-22H2,1H3,(H,39,40)
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| InChIKey |
CVJTZQISSHZNGD-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