General Information of the Compound
| Compound ID |
CP0517321
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| Compound Name |
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-piperidin-1-ylbutane-1,4-dione
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| Structure |
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| Formula |
C30H35N5O4
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| Molecular Weight |
529.641
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc32)C(=O)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C30H35N5O4/c1-20-15-21(17-23-19-31-33-27(20)23)16-22(28(37)35-11-5-2-6-12-35)18-26(36)34-13-9-30(10-14-34)24-7-3-4-8-25(24)32-29(38)39-30/h3-4,7-8,15,17,19,22H,2,5-6,9-14,16,18H2,1H3,(H,31,33)(H,32,38)
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| InChIKey |
AUTQAANXFXOHQX-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