General Information of the Compound
| Compound ID |
CP0399628
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| Compound Name |
(2S)-2-(1H-indazol-5-ylmethylamino)-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 |
C35H46N8O3
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| Molecular Weight |
626.806
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| Canonical SMILES |
O=C(C[C@H](NCc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C35H46N8O3/c44-33(41-16-12-29(13-17-41)43-24-26-6-2-3-7-30(26)38-35(43)46)21-32(36-22-25-8-9-31-27(20-25)23-37-39-31)34(45)42-18-10-28(11-19-42)40-14-4-1-5-15-40/h2-3,6-9,20,23,28-29,32,36H,1,4-5,10-19,21-22,24H2,(H,37,39)(H,38,46)/t32-/m0/s1
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| InChIKey |
ZJTUGHFBQAMQEE-YTTGMZPUSA-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