General Information of the Compound
| Compound ID |
CP0472276
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| Compound Name |
8-chloro-5-cyclohexyl-1-[5-[2-(oxan-4-ylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C29H39ClN6O2
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| Molecular Weight |
539.124
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| Canonical SMILES |
CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cn2)C1=O
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| InChI |
InChI=1S/C29H39ClN6O2/c1-20(2)36-29(37)35(26-18-22(30)8-10-25(26)28(34-36)21-6-4-3-5-7-21)27-11-9-24(19-33-27)32-15-14-31-23-12-16-38-17-13-23/h8-11,18-21,23,31-32H,3-7,12-17H2,1-2H3
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| InChIKey |
AMYSXPSXAKJZGQ-UHFFFAOYSA-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