General Information of the Compound
| Compound ID |
CP0373658
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| Compound Name |
[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
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| Synonyms |
BDBM50050652
CHEMBL47146
PD-160946
[(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester
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| Structure |
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| Formula |
C29H41FN4O4
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| Molecular Weight |
528.669
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| Canonical SMILES |
CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
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| InChI |
InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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| InChIKey |
ZAYADERDILOEBG-ABYGYWHVSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT04126, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor
Clinical Information about the Compound