General Information of the Compound
| Compound ID |
CP0727506
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| Compound Name |
(R)-3-(1H-Indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]-N-[(1-phenylcyclohexyl)methyl]propanamide
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| Structure |
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| Formula |
C32H36N4O3
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| Molecular Weight |
524.665
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccc3)CCCCC2)cc1
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| InChI |
InChI=1S/C32H36N4O3/c1-39-26-16-14-25(15-17-26)35-31(38)36-29(20-23-21-33-28-13-7-6-12-27(23)28)30(37)34-22-32(18-8-3-9-19-32)24-10-4-2-5-11-24/h2,4-7,10-17,21,29,33H,3,8-9,18-20,22H2,1H3,(H,34,37)(H2,35,36,38)/t29-/m1/s1
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| InChIKey |
NMWHWNGAWSDIFW-GDLZYMKVSA-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