General Information of the Compound
| Compound ID |
CP0438739
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| Compound Name |
methyl N-[2-[[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]carbamoylamino]phenyl]carbamate
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| Structure |
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| Formula |
C28H31N5O5
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| Molecular Weight |
517.586
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| Canonical SMILES |
COC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C28H31N5O5/c1-37-28(36)33-25-6-3-2-5-24(25)32-27(35)31-20-11-9-19(10-12-20)13-15-29-17-21(34)18-38-26-8-4-7-23-22(26)14-16-30-23/h2-12,14,16,21,29-30,34H,13,15,17-18H2,1H3,(H,33,36)(H2,31,32,35)/t21-/m0/s1
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| InChIKey |
IRIAXKGHANQKIV-NRFANRHFSA-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