General Information of the Compound
| Compound ID |
CP0286266
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| Compound Name |
(S)-N-[1-(4-Dimethylamino-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 |
C34H40N6O4
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| Molecular Weight |
596.732
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| Canonical SMILES |
CN(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
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| InChI |
InChI=1S/C34H40N6O4/c1-33(21-24-22-35-30-10-6-5-9-29(24)30,38-32(42)37-26-13-17-28(18-14-26)40(43)44)31(41)36-23-34(19-7-4-8-20-34)25-11-15-27(16-12-25)39(2)3/h5-6,9-18,22,35H,4,7-8,19-21,23H2,1-3H3,(H,36,41)(H2,37,38,42)/t33-/m0/s1
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| InChIKey |
LJRYMIQLJOWZPO-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