General Information of the Compound
| Compound ID |
CP0395140
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| Compound Name |
3-(1H-Indol-3-yl)-N-phenethyl-2-{2-[(pyridin-3-ylmethyl)-amino]-acetylamino}-propionamide
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
O=C(CNCc1cccnc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H29N5O2/c33-26(19-29-17-21-9-6-13-28-16-21)32-25(15-22-18-31-24-11-5-4-10-23(22)24)27(34)30-14-12-20-7-2-1-3-8-20/h1-11,13,16,18,25,29,31H,12,14-15,17,19H2,(H,30,34)(H,32,33)
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| InChIKey |
CERUDGRKJUYCGK-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