General Information of the Compound
| Compound ID |
CP0456261
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| Compound Name |
CHEMBL1774019
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(C)cc1
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| InChI |
InChI=1S/C26H32ClN3O2/c1-17-3-5-19(6-4-17)14-25(31)29-24(13-18-7-9-20(27)10-8-18)26(32)28-21-15-22-11-12-23(16-21)30(22)2/h3-10,21-24H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22+,23-,24-/m1/s1
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| InChIKey |
WGGRQKQCSWWROA-UEQSERJNSA-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
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT02139, Vasopressin V1a receptor