General Information of the Compound
| Compound ID |
CP0493896
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| Compound Name |
2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H32N4O3/c1-18(2)11-13-28-26(32)25(15-20-17-30-24-10-6-4-8-22(20)24)31-27(33)34-14-12-19-16-29-23-9-5-3-7-21(19)23/h3-10,16-18,25,29-30H,11-15H2,1-2H3,(H,28,32)(H,31,33)/t25-/m0/s1
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| InChIKey |
TZVYVTJQPZXCJJ-VWLOTQADSA-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