General Information of the Compound
| Compound ID |
CP0437347
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| Compound Name |
N-[1-[acetyl-[(2-chlorophenyl)methyl]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 |
C32H36ClN5O2
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| Molecular Weight |
558.126
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| Canonical SMILES |
CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1Cl
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| InChI |
InChI=1S/C32H36ClN5O2/c1-24(39)38(21-25-9-5-7-13-30(25)33)22-27(19-26-20-34-31-14-8-6-12-29(26)31)35-32(40)23-36-15-17-37(18-16-36)28-10-3-2-4-11-28/h2-14,20,27,34H,15-19,21-23H2,1H3,(H,35,40)
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| InChIKey |
HEGGNUSNVKNEOF-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