General Information of the Compound
| Compound ID |
CP0394769
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| Compound Name |
3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methyl-1-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C30H35Cl2N5O2
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| Molecular Weight |
568.549
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| Canonical SMILES |
COc1ccc([C@H](C)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(ccc23)-c2cc(C)ncn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C30H35Cl2N5O2/c1-18-15-25(34-17-33-18)21-5-7-24-20(16-21)6-9-26(24)37-13-11-22(12-14-37)36(3)30(38)35-19(2)23-8-10-27(39-4)29(32)28(23)31/h5,7-8,10,15-17,19,22,26H,6,9,11-14H2,1-4H3,(H,35,38)/t19-,26?/m0/s1
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| InChIKey |
OVJABMMCUGWJCQ-SXMXNQBWSA-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