General Information of the Compound
| Compound ID |
CP0313182
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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-naphthalen-2-ylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C37H46N6O2
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| Molecular Weight |
606.815
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C37H46N6O2/c1-26-21-27(22-32-25-38-40-35(26)32)23-34(36(44)42-19-13-33(14-20-42)41-15-5-2-6-16-41)39-37(45)43-17-11-29(12-18-43)31-10-9-28-7-3-4-8-30(28)24-31/h3-4,7-10,21-22,24-25,29,33-34H,2,5-6,11-20,23H2,1H3,(H,38,40)(H,39,45)/t34-/m1/s1
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| InChIKey |
PGUPJMQJNPDQPV-UUWRZZSWSA-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