General Information of the Compound
| Compound ID |
CP0437230
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| Compound Name |
2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C32H31N5O3
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| Molecular Weight |
533.632
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C32H31N5O3/c38-31(33-15-13-21-18-34-27-10-4-1-7-24(21)27)30(17-23-20-36-29-12-6-3-9-26(23)29)37-32(39)40-16-14-22-19-35-28-11-5-2-8-25(22)28/h1-12,18-20,30,34-36H,13-17H2,(H,33,38)(H,37,39)/t30-/m0/s1
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| InChIKey |
WCCUPZWYQWXBDQ-PMERELPUSA-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