General Information of the Compound
| Compound ID |
CP0375607
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| Compound Name |
CHEMBL1774017
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| Formula |
C25H29Cl2N3O2
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| Molecular Weight |
474.432
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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(Cl)cc1
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| InChI |
InChI=1S/C25H29Cl2N3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1
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| InChIKey |
VABBLJRSRLVEEW-KAOXLYBCSA-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