General Information of the Compound
| Compound ID |
CP0506985
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| Compound Name |
methyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C18H21N5O3
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| Molecular Weight |
355.398
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| Canonical SMILES |
COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
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| InChI |
InChI=1S/C18H21N5O3/c1-26-18(25)23-16(17(24)20-7-6-13-10-19-11-22-13)8-12-9-21-15-5-3-2-4-14(12)15/h2-5,9-11,16,21H,6-8H2,1H3,(H,19,22)(H,20,24)(H,23,25)/t16-/m0/s1
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| InChIKey |
BUCCIUNKBVPPSI-INIZCTEOSA-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