General Information of the Compound
| Compound ID |
CP0494463
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| Compound Name |
6-[5-(Cyclopropylmethyl)-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl]-N-(2-hydroxy-2-pyridin-3-ylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(CC1CC1)c1ccccc1O2)c1cccnc1
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| InChI |
InChI=1S/C29H34N6O3/c36-25(22-4-3-14-30-18-22)19-31-28(37)23-9-10-27(33-32-23)34-15-11-29(12-16-34)13-17-35(20-21-7-8-21)24-5-1-2-6-26(24)38-29/h1-6,9-10,14,18,21,25,36H,7-8,11-13,15-17,19-20H2,(H,31,37)
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| InChIKey |
WPUFSUFYEYOKFL-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