General Information of the Compound
| Compound ID |
CP0538379
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| Compound Name |
N-[1-(N-acetylanilino)-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C31H35N5O2
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| Molecular Weight |
509.654
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| Canonical SMILES |
CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H35N5O2/c1-24(37)36(28-12-6-3-7-13-28)22-26(20-25-21-32-30-15-9-8-14-29(25)30)33-31(38)23-34-16-18-35(19-17-34)27-10-4-2-5-11-27/h2-15,21,26,32H,16-20,22-23H2,1H3,(H,33,38)
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| InChIKey |
JQGRWTHEXNQLOJ-UHFFFAOYSA-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