General Information of the Compound
| Compound ID |
CP0434879
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| Compound Name |
methyl 2-[1-[[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]carbamoyl]piperidin-4-yl]benzoate
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| Structure |
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| Formula |
C35H46N6O4
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| Molecular Weight |
614.791
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| Canonical SMILES |
COC(=O)c1ccccc1C1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C35H46N6O4/c1-24-20-25(21-27-23-36-38-32(24)27)22-31(33(42)40-18-12-28(13-19-40)39-14-6-3-7-15-39)37-35(44)41-16-10-26(11-17-41)29-8-4-5-9-30(29)34(43)45-2/h4-5,8-9,20-21,23,26,28,31H,3,6-7,10-19,22H2,1-2H3,(H,36,38)(H,37,44)/t31-/m1/s1
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| InChIKey |
IDBVTUJKJGQBFV-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