General Information of the Compound
| Compound ID |
CP0575657
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| Compound Name |
methyl (2S)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C23H26N2O3/c1-28-22(26)20(13-15-7-3-2-4-8-15)24-23(27)25-21-18-11-5-9-16(18)14-17-10-6-12-19(17)21/h2-4,7-8,14,20H,5-6,9-13H2,1H3,(H2,24,25,27)/t20-/m0/s1
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| InChIKey |
INCAQYZCPRUSCC-FQEVSTJZSA-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