General Information of the Compound
| Compound ID |
CP0083975
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| Compound Name |
(S)-N-[1-(3,4-Dimethoxy-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 |
C34H39N5O6
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| Molecular Weight |
613.715
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| Canonical SMILES |
COc1ccc(cc1OC)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
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| InChI |
InChI=1S/C34H39N5O6/c1-33(20-23-21-35-28-10-6-5-9-27(23)28,38-32(41)37-25-12-14-26(15-13-25)39(42)43)31(40)36-22-34(17-7-4-8-18-34)24-11-16-29(44-2)30(19-24)45-3/h5-6,9-16,19,21,35H,4,7-8,17-18,20,22H2,1-3H3,(H,36,40)(H2,37,38,41)/t33-/m0/s1
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| InChIKey |
VFVKUZVSXDUHAQ-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