General Information of the Compound
| Compound ID |
CP0100144
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| Compound Name |
ethyl N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C30H35N5O3
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| Molecular Weight |
513.642
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| Canonical SMILES |
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cccnc2)CC1)c1ccc(cc1)C(=O)N1CCC1
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| InChI |
InChI=1S/C30H35N5O3/c1-2-38-30(37)32-27-8-3-7-26(20-27)28(24-9-11-25(12-10-24)29(36)35-14-5-15-35)34-18-16-33(17-19-34)22-23-6-4-13-31-21-23/h3-4,6-13,20-21,28H,2,5,14-19,22H2,1H3,(H,32,37)/t28-/m1/s1
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| InChIKey |
XSFBTECQJYZXLG-MUUNZHRXSA-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