General Information of the Compound
| Compound ID |
CP0505106
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| Compound Name |
propan-2-yl 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 |
C20H29N3O3
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| Molecular Weight |
359.47
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| Canonical SMILES |
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)C
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| InChI |
InChI=1S/C20H29N3O3/c1-13(2)9-10-21-19(24)18(23-20(25)26-14(3)4)11-15-12-22-17-8-6-5-7-16(15)17/h5-8,12-14,18,22H,9-11H2,1-4H3,(H,21,24)(H,23,25)/t18-/m0/s1
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| InChIKey |
ZKVZKWOGOGIJJU-SFHVURJKSA-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