General Information of the Compound
| Compound ID |
CP0066013
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| Compound Name |
(1S)-1-[6-[4-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C27H28F3N3O2
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| Molecular Weight |
483.534
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| Canonical SMILES |
OC[C@@H](O)c1cccc(n1)-c1ccc2N(CCN(CC3CC3)Cc2c1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N3O2/c28-27(29,30)21-7-9-22(10-8-21)33-13-12-32(15-18-4-5-18)16-20-14-19(6-11-25(20)33)23-2-1-3-24(31-23)26(35)17-34/h1-3,6-11,14,18,26,34-35H,4-5,12-13,15-17H2/t26-/m1/s1
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| InChIKey |
OTLFVFMAOBMXOK-AREMUKBSSA-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