General Information of the Compound
| Compound ID |
CP0380724
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| Compound Name |
2-methylpropyl 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 |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1
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| InChIKey |
BZDXMLXOSGUXDE-DEOSSOPVSA-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
Protein ID: PT02963, Neuromedin-B receptor
Protein ID: PT01410, Substance-P receptor