General Information of the Compound
| Compound ID |
CP0430422
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| Compound Name |
(4-(1H-indole-6-carbonyl)-1,4-diazepan-1-yl)(biphenyl-4-yl)methanone
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| Structure |
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| Formula |
C27H25N3O2
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| Molecular Weight |
423.516
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| Canonical SMILES |
O=C(N1CCCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25N3O2/c31-26(23-10-7-21(8-11-23)20-5-2-1-3-6-20)29-15-4-16-30(18-17-29)27(32)24-12-9-22-13-14-28-25(22)19-24/h1-3,5-14,19,28H,4,15-18H2
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| InChIKey |
RAIOYVPQUQHIOE-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