General Information of the Compound
| Compound ID |
CP0164105
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| Compound Name |
pyridin-4-ylmethyl N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C33H42F2N4O6S
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| Molecular Weight |
660.784
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| Canonical SMILES |
CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C33H42F2N4O6S/c1-3-5-13-46(43,44)22-30(39-33(42)45-21-24-9-11-36-12-10-24)32(41)38-29(17-26-15-27(34)18-28(35)16-26)31(40)20-37-19-25-8-6-7-23(4-2)14-25/h6-12,14-16,18,29-31,37,40H,3-5,13,17,19-22H2,1-2H3,(H,38,41)(H,39,42)/t29-,30+,31+/m0/s1
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| InChIKey |
SACCVMQJINSDGD-OJDZSJEKSA-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