General Information of the Compound
| Compound ID |
CP0372136
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| Compound Name |
(R)-methyl (5-(4-hydroxybenzylamino)-4-(2,2-diphenylacetamido)-5-oxopentylamino)(amino)methylenecarbamate
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| Structure |
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| Formula |
C29H33N5O5
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| Molecular Weight |
531.613
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| Canonical SMILES |
COC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C29H33N5O5/c1-39-29(38)34-28(30)31-18-8-13-24(26(36)32-19-20-14-16-23(35)17-15-20)33-27(37)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,14-17,24-25,35H,8,13,18-19H2,1H3,(H,32,36)(H,33,37)(H3,30,31,34,38)/t24-/m1/s1
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| InChIKey |
RCEPKPUPTVYQJA-XMMPIXPASA-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