General Information of the Compound
| Compound ID |
CP0659138
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| Compound Name |
(R)-3-(1H-Indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]propanamide
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| Structure |
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| Formula |
C31H35N5O3
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| Molecular Weight |
525.653
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1
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| InChI |
InChI=1S/C31H35N5O3/c1-39-24-14-12-23(13-15-24)35-30(38)36-27(19-22-20-33-26-10-4-3-9-25(22)26)29(37)34-21-31(16-6-2-7-17-31)28-11-5-8-18-32-28/h3-5,8-15,18,20,27,33H,2,6-7,16-17,19,21H2,1H3,(H,34,37)(H2,35,36,38)/t27-/m1/s1
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| InChIKey |
NTFUQLNNSFGESC-HHHXNRCGSA-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