General Information of the Compound
| Compound ID |
CP0499038
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| Compound Name |
(2S)-2-(1H-indazol-5-ylamino)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C34H44N8O3
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| Molecular Weight |
612.779
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| Canonical SMILES |
O=C(C[C@H](Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C34H44N8O3/c43-32(40-16-12-28(13-17-40)42-23-24-6-2-3-7-29(24)37-34(42)45)21-31(36-26-8-9-30-25(20-26)22-35-38-30)33(44)41-18-10-27(11-19-41)39-14-4-1-5-15-39/h2-3,6-9,20,22,27-28,31,36H,1,4-5,10-19,21,23H2,(H,35,38)(H,37,45)/t31-/m0/s1
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| InChIKey |
SEERNRBNLSYARJ-HKBQPEDESA-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