General Information of the Compound
| Compound ID |
CP0387429
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| Compound Name |
3-[(1S)-2-cyclopropyl-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 |
C33H39Cl2N5O2
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| Molecular Weight |
608.614
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| Canonical SMILES |
COc1ccc([C@H](CC2CC2)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(ccc23)-c2cc(C)ncn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C33H39Cl2N5O2/c1-20-16-27(37-19-36-20)23-6-8-25-22(18-23)7-10-29(25)40-14-12-24(13-15-40)39(2)33(41)38-28(17-21-4-5-21)26-9-11-30(42-3)32(35)31(26)34/h6,8-9,11,16,18-19,21,24,28-29H,4-5,7,10,12-15,17H2,1-3H3,(H,38,41)/t28-,29?/m0/s1
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| InChIKey |
YTCAYOLJCRJYCL-XLTVJXRZSA-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