General Information of the Compound
| Compound ID |
CP0387427
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-[1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-1-methylurea
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| Structure |
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| Formula |
C26H33Cl2N3O3
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| Molecular Weight |
506.474
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| Canonical SMILES |
COc1ccc2C(CCc2c1)N1CCC(CC1)N(C)C(=O)N[C@@H](C)c1ccc(OC)c(Cl)c1Cl
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| InChI |
InChI=1S/C26H33Cl2N3O3/c1-16(20-8-10-23(34-4)25(28)24(20)27)29-26(32)30(2)18-11-13-31(14-12-18)22-9-5-17-15-19(33-3)6-7-21(17)22/h6-8,10,15-16,18,22H,5,9,11-14H2,1-4H3,(H,29,32)/t16-,22?/m0/s1
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| InChIKey |
YTPZDFRLCGSWJS-CISYCMJJSA-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