General Information of the Compound
| Compound ID |
CP0404538
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| Compound Name |
ethyl 4-[4-[[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]carbamoyl]piperazin-1-yl]benzoate
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| Structure |
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| Formula |
C35H47N7O4
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| Molecular Weight |
629.806
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C35H47N7O4/c1-3-46-34(44)27-7-9-29(10-8-27)40-17-19-42(20-18-40)35(45)37-31(23-26-21-25(2)32-28(22-26)24-36-38-32)33(43)41-15-11-30(12-16-41)39-13-5-4-6-14-39/h7-10,21-22,24,30-31H,3-6,11-20,23H2,1-2H3,(H,36,38)(H,37,45)/t31-/m1/s1
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| InChIKey |
YKBPJLKHVTYMGB-WJOKGBTCSA-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