General Information of the Compound
| Compound ID |
CP0440987
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| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propanoylpyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C34H48ClN5O3
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| Molecular Weight |
610.243
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| Canonical SMILES |
CCC(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](NC(=O)CCN(C)C)C(C)C
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| InChI |
InChI=1S/C34H48ClN5O3/c1-7-32(42)40-21-28(25-9-11-26(35)12-10-25)29(22-40)34(43)39-18-16-38(17-19-39)30-13-8-24(4)20-27(30)33(23(2)3)36-31(41)14-15-37(5)6/h8-13,20,23,28-29,33H,7,14-19,21-22H2,1-6H3,(H,36,41)/t28-,29+,33-/m0/s1
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| InChIKey |
XMXFDSWFBHZLTR-FBXLTAPESA-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