General Information of the Compound
| Compound ID |
CP0465024
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| Compound Name |
N-[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]benzamide
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| Structure |
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| Formula |
C38H41N5O3
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| Molecular Weight |
615.778
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C38H41N5O3/c1-46-36-19-11-8-14-30(36)26-43(38(45)29-12-4-2-5-13-29)27-32(24-31-25-39-35-18-10-9-17-34(31)35)40-37(44)28-41-20-22-42(23-21-41)33-15-6-3-7-16-33/h2-19,25,32,39H,20-24,26-28H2,1H3,(H,40,44)
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| InChIKey |
KQMGYOWNUFZGRP-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