General Information of the Compound
| Compound ID |
CP0511263
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| Compound Name |
3-(1H-indol-3-yl)-2-[[[2-(1H-indol-2-yl)acetyl]amino]carbamoylamino]-N-(2-phenylethyl)propanamide
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| Structure |
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| Formula |
C30H30N6O3
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| Molecular Weight |
522.609
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| Canonical SMILES |
O=C(Cc1cc2ccccc2[nH]1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C30H30N6O3/c37-28(18-23-16-21-10-4-6-12-25(21)33-23)35-36-30(39)34-27(17-22-19-32-26-13-7-5-11-24(22)26)29(38)31-15-14-20-8-2-1-3-9-20/h1-13,16,19,27,32-33H,14-15,17-18H2,(H,31,38)(H,35,37)(H2,34,36,39)
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| InChIKey |
SACVPHQYAHLKCC-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