General Information of the Compound
| Compound ID |
CP0461232
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| Compound Name |
[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C29H42N4O4
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| Molecular Weight |
510.679
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| Canonical SMILES |
CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
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| InChI |
InChI=1S/C29H42N4O4/c1-22(2)25(24-17-11-8-12-18-24)37-28(36)33-29(3,21-23-15-9-7-10-16-23)26(34)31-19-13-5-4-6-14-20-32-27(30)35/h7-12,15-18,22,25H,4-6,13-14,19-21H2,1-3H3,(H,31,34)(H,33,36)(H3,30,32,35)/t25-,29+/m0/s1
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| InChIKey |
ULAOEVZLPBIGAQ-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