General Information of the Compound
| Compound ID |
CP0573666
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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-phenylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C32H43N7O2
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| Molecular Weight |
557.743
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C32H43N7O2/c1-24-20-25(21-26-23-33-35-30(24)26)22-29(31(40)38-14-10-28(11-15-38)36-12-6-3-7-13-36)34-32(41)39-18-16-37(17-19-39)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23,28-29H,3,6-7,10-19,22H2,1H3,(H,33,35)(H,34,41)/t29-/m1/s1
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| InChIKey |
UQLLVEMMKHWVMV-GDLZYMKVSA-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