General Information of the Compound
| Compound ID |
CP0434881
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| Compound Name |
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-phenylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C33H44N6O2
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| Molecular Weight |
556.755
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H44N6O2/c1-24-20-25(21-28-23-34-36-31(24)28)22-30(32(40)38-18-12-29(13-19-38)37-14-6-3-7-15-37)35-33(41)39-16-10-27(11-17-39)26-8-4-2-5-9-26/h2,4-5,8-9,20-21,23,27,29-30H,3,6-7,10-19,22H2,1H3,(H,34,36)(H,35,41)/t30-/m1/s1
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| InChIKey |
ZOLIZNHAKPNRDO-SSEXGKCCSA-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