General Information of the Compound
| Compound ID |
CP0284508
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| Compound Name |
(S)-3-(1H-Indol-3-yl)-2-methyl-2-(3-phenyl-ureido)-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
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| Structure |
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| Formula |
C31H35N5O2
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| Molecular Weight |
509.654
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| Canonical SMILES |
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C31H35N5O2/c1-30(36-29(38)35-24-12-4-2-5-13-24,20-23-21-33-26-15-7-6-14-25(23)26)28(37)34-22-31(17-9-3-10-18-31)27-16-8-11-19-32-27/h2,4-8,11-16,19,21,33H,3,9-10,17-18,20,22H2,1H3,(H,34,37)(H2,35,36,38)/t30-/m0/s1
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| InChIKey |
KBRYXXQXNXKGKB-PMERELPUSA-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