General Information of the Compound
| Compound ID |
CP0502945
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| Compound Name |
N-[1-[acetyl(butyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
CCCCN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C29H39N5O2/c1-3-4-14-34(23(2)35)21-25(19-24-20-30-28-13-9-8-12-27(24)28)31-29(36)22-32-15-17-33(18-16-32)26-10-6-5-7-11-26/h5-13,20,25,30H,3-4,14-19,21-22H2,1-2H3,(H,31,36)
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| InChIKey |
MTGQTFWECVYJBZ-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