General Information of the Compound
| Compound ID |
CP0404730
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| Compound Name |
1-(3,3-Diphenyl-propyl)-4-pyridin-4-ylmethyl-[1,4]diazepane
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| Structure |
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| Formula |
C26H31N3
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| Molecular Weight |
385.555
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| Canonical SMILES |
C(CN1CCCN(Cc2ccncc2)CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H31N3/c1-3-8-24(9-4-1)26(25-10-5-2-6-11-25)14-19-28-17-7-18-29(21-20-28)22-23-12-15-27-16-13-23/h1-6,8-13,15-16,26H,7,14,17-22H2
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| InChIKey |
RJHNWFQWFIJREE-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