General Information of the Compound
| Compound ID |
CP0101710
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| Compound Name |
(S)-N-[1-(4-Ethoxy-phenyl)-cyclohexylmethyl]-3-(1H-indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
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| Structure |
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| Formula |
C34H39N5O5
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| Molecular Weight |
597.716
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| Canonical SMILES |
CCOc1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
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| InChI |
InChI=1S/C34H39N5O5/c1-3-44-28-17-11-25(12-18-28)34(19-7-4-8-20-34)23-36-31(40)33(2,21-24-22-35-30-10-6-5-9-29(24)30)38-32(41)37-26-13-15-27(16-14-26)39(42)43/h5-6,9-18,22,35H,3-4,7-8,19-21,23H2,1-2H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1
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| InChIKey |
UGDBOJPMQKHDTD-XIFFEERXSA-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